Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:53:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrMoO3.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 24 7 1160 560 93 Max 41 25 8 1165 571 96 Sum 1457 885 277 41851 20341 3407 bravais-lattice index = 14 lattice parameter (alat) = 7.5141 a.u. unit-cell volume = 424.2586 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.514099 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Mo 14.00 95.94000 Mo( 1.00) Sr 10.00 87.62000 Sr( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144927 0.0144927), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028985 0.2028985), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855072 0.4855072), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 Dense grid: 41851 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 20341 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 146, 50) NL pseudopotentials 0.12 Mb ( 73, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1162) G-vector shells 0.00 Mb ( 282) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 146, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.17 Mb ( 110, 2, 50) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SrMoO3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.6 secs Computing kpt #: 12 total cpu time spent up to now is 5.9 secs Computing kpt #: 13 total cpu time spent up to now is 6.2 secs Computing kpt #: 14 total cpu time spent up to now is 6.6 secs Computing kpt #: 15 total cpu time spent up to now is 6.9 secs Computing kpt #: 16 total cpu time spent up to now is 7.3 secs Computing kpt #: 17 total cpu time spent up to now is 7.6 secs Computing kpt #: 18 total cpu time spent up to now is 8.0 secs Computing kpt #: 19 total cpu time spent up to now is 8.3 secs Computing kpt #: 20 total cpu time spent up to now is 8.6 secs Computing kpt #: 21 total cpu time spent up to now is 9.0 secs Computing kpt #: 22 total cpu time spent up to now is 9.3 secs Computing kpt #: 23 total cpu time spent up to now is 9.6 secs Computing kpt #: 24 total cpu time spent up to now is 10.0 secs Computing kpt #: 25 total cpu time spent up to now is 10.3 secs Computing kpt #: 26 total cpu time spent up to now is 10.7 secs Computing kpt #: 27 total cpu time spent up to now is 11.0 secs Computing kpt #: 28 total cpu time spent up to now is 11.4 secs Computing kpt #: 29 total cpu time spent up to now is 11.7 secs Computing kpt #: 30 total cpu time spent up to now is 12.3 secs Computing kpt #: 31 total cpu time spent up to now is 12.6 secs Computing kpt #: 32 total cpu time spent up to now is 13.0 secs Computing kpt #: 33 total cpu time spent up to now is 13.5 secs Computing kpt #: 34 total cpu time spent up to now is 13.9 secs Computing kpt #: 35 total cpu time spent up to now is 14.3 secs Computing kpt #: 36 total cpu time spent up to now is 14.6 secs Computing kpt #: 37 total cpu time spent up to now is 15.0 secs Computing kpt #: 38 total cpu time spent up to now is 15.4 secs Computing kpt #: 39 total cpu time spent up to now is 16.1 secs Computing kpt #: 40 total cpu time spent up to now is 16.5 secs Computing kpt #: 41 total cpu time spent up to now is 16.9 secs Computing kpt #: 42 total cpu time spent up to now is 17.3 secs Computing kpt #: 43 total cpu time spent up to now is 17.7 secs Computing kpt #: 44 total cpu time spent up to now is 18.0 secs Computing kpt #: 45 total cpu time spent up to now is 18.4 secs Computing kpt #: 46 total cpu time spent up to now is 18.7 secs Computing kpt #: 47 total cpu time spent up to now is 19.1 secs Computing kpt #: 48 total cpu time spent up to now is 19.5 secs Computing kpt #: 49 total cpu time spent up to now is 19.8 secs Computing kpt #: 50 total cpu time spent up to now is 20.2 secs Computing kpt #: 51 total cpu time spent up to now is 20.6 secs Computing kpt #: 52 total cpu time spent up to now is 21.0 secs Computing kpt #: 53 total cpu time spent up to now is 21.3 secs Computing kpt #: 54 total cpu time spent up to now is 21.7 secs Computing kpt #: 55 total cpu time spent up to now is 22.0 secs Computing kpt #: 56 total cpu time spent up to now is 22.3 secs Computing kpt #: 57 total cpu time spent up to now is 22.6 secs Computing kpt #: 58 total cpu time spent up to now is 23.0 secs Computing kpt #: 59 total cpu time spent up to now is 23.3 secs Computing kpt #: 60 total cpu time spent up to now is 23.6 secs Computing kpt #: 61 total cpu time spent up to now is 23.9 secs Computing kpt #: 62 total cpu time spent up to now is 24.2 secs Computing kpt #: 63 total cpu time spent up to now is 24.5 secs Computing kpt #: 64 total cpu time spent up to now is 24.9 secs Computing kpt #: 65 total cpu time spent up to now is 25.2 secs Computing kpt #: 66 total cpu time spent up to now is 25.5 secs Computing kpt #: 67 total cpu time spent up to now is 25.8 secs Computing kpt #: 68 total cpu time spent up to now is 26.1 secs Computing kpt #: 69 total cpu time spent up to now is 26.4 secs Computing kpt #: 70 total cpu time spent up to now is 26.7 secs Computing kpt #: 71 total cpu time spent up to now is 27.1 secs Computing kpt #: 72 total cpu time spent up to now is 27.4 secs Computing kpt #: 73 total cpu time spent up to now is 27.7 secs Computing kpt #: 74 total cpu time spent up to now is 28.0 secs Computing kpt #: 75 total cpu time spent up to now is 28.4 secs Computing kpt #: 76 total cpu time spent up to now is 28.7 secs Computing kpt #: 77 total cpu time spent up to now is 29.0 secs Computing kpt #: 78 total cpu time spent up to now is 29.4 secs Computing kpt #: 79 total cpu time spent up to now is 29.7 secs Computing kpt #: 80 total cpu time spent up to now is 30.0 secs Computing kpt #: 81 total cpu time spent up to now is 30.4 secs Computing kpt #: 82 total cpu time spent up to now is 30.7 secs Computing kpt #: 83 total cpu time spent up to now is 31.1 secs Computing kpt #: 84 total cpu time spent up to now is 31.4 secs Computing kpt #: 85 total cpu time spent up to now is 31.7 secs Computing kpt #: 86 total cpu time spent up to now is 32.0 secs Computing kpt #: 87 total cpu time spent up to now is 32.3 secs Computing kpt #: 88 total cpu time spent up to now is 32.7 secs Computing kpt #: 89 total cpu time spent up to now is 33.0 secs Computing kpt #: 90 total cpu time spent up to now is 33.4 secs Computing kpt #: 91 total cpu time spent up to now is 33.7 secs Computing kpt #: 92 total cpu time spent up to now is 34.0 secs Computing kpt #: 93 total cpu time spent up to now is 34.3 secs Computing kpt #: 94 total cpu time spent up to now is 34.6 secs Computing kpt #: 95 total cpu time spent up to now is 35.0 secs Computing kpt #: 96 total cpu time spent up to now is 35.3 secs Computing kpt #: 97 total cpu time spent up to now is 35.6 secs Computing kpt #: 98 total cpu time spent up to now is 35.9 secs Computing kpt #: 99 total cpu time spent up to now is 36.2 secs Computing kpt #: 100 total cpu time spent up to now is 36.5 secs Computing kpt #: 101 total cpu time spent up to now is 36.8 secs Computing kpt #: 102 total cpu time spent up to now is 37.1 secs Computing kpt #: 103 total cpu time spent up to now is 37.4 secs Computing kpt #: 104 total cpu time spent up to now is 37.7 secs Computing kpt #: 105 total cpu time spent up to now is 38.0 secs Computing kpt #: 106 total cpu time spent up to now is 38.4 secs Computing kpt #: 107 total cpu time spent up to now is 38.7 secs Computing kpt #: 108 total cpu time spent up to now is 39.0 secs Computing kpt #: 109 total cpu time spent up to now is 39.3 secs Computing kpt #: 110 total cpu time spent up to now is 39.6 secs Computing kpt #: 111 total cpu time spent up to now is 39.9 secs Computing kpt #: 112 total cpu time spent up to now is 40.3 secs Computing kpt #: 113 total cpu time spent up to now is 40.6 secs Computing kpt #: 114 total cpu time spent up to now is 40.9 secs Computing kpt #: 115 total cpu time spent up to now is 41.2 secs Computing kpt #: 116 total cpu time spent up to now is 41.6 secs Computing kpt #: 117 total cpu time spent up to now is 41.9 secs Computing kpt #: 118 total cpu time spent up to now is 42.4 secs Computing kpt #: 119 total cpu time spent up to now is 42.8 secs Computing kpt #: 120 total cpu time spent up to now is 43.1 secs Computing kpt #: 121 total cpu time spent up to now is 43.4 secs Computing kpt #: 122 total cpu time spent up to now is 43.8 secs Computing kpt #: 123 total cpu time spent up to now is 44.1 secs Computing kpt #: 124 total cpu time spent up to now is 44.5 secs Computing kpt #: 125 total cpu time spent up to now is 44.9 secs Computing kpt #: 126 total cpu time spent up to now is 45.2 secs Computing kpt #: 127 total cpu time spent up to now is 45.5 secs Computing kpt #: 128 total cpu time spent up to now is 45.9 secs Computing kpt #: 129 total cpu time spent up to now is 46.2 secs Computing kpt #: 130 total cpu time spent up to now is 46.5 secs Computing kpt #: 131 total cpu time spent up to now is 46.8 secs Computing kpt #: 132 total cpu time spent up to now is 47.1 secs Computing kpt #: 133 total cpu time spent up to now is 47.4 secs Computing kpt #: 134 total cpu time spent up to now is 47.7 secs Computing kpt #: 135 total cpu time spent up to now is 48.0 secs Computing kpt #: 136 total cpu time spent up to now is 48.3 secs Computing kpt #: 137 total cpu time spent up to now is 48.6 secs Computing kpt #: 138 total cpu time spent up to now is 48.9 secs Computing kpt #: 139 total cpu time spent up to now is 49.2 secs Computing kpt #: 140 total cpu time spent up to now is 49.5 secs Computing kpt #: 141 total cpu time spent up to now is 49.8 secs Computing kpt #: 142 total cpu time spent up to now is 50.1 secs Computing kpt #: 143 total cpu time spent up to now is 50.4 secs Computing kpt #: 144 total cpu time spent up to now is 50.7 secs Computing kpt #: 145 total cpu time spent up to now is 51.0 secs Computing kpt #: 146 total cpu time spent up to now is 51.3 secs Computing kpt #: 147 total cpu time spent up to now is 51.6 secs Computing kpt #: 148 total cpu time spent up to now is 51.9 secs Computing kpt #: 149 total cpu time spent up to now is 52.2 secs Computing kpt #: 150 total cpu time spent up to now is 52.5 secs Computing kpt #: 151 total cpu time spent up to now is 52.8 secs Computing kpt #: 152 total cpu time spent up to now is 53.1 secs Computing kpt #: 153 total cpu time spent up to now is 53.4 secs Computing kpt #: 154 total cpu time spent up to now is 53.7 secs Computing kpt #: 155 total cpu time spent up to now is 54.0 secs Computing kpt #: 156 total cpu time spent up to now is 54.3 secs Computing kpt #: 157 total cpu time spent up to now is 54.6 secs Computing kpt #: 158 total cpu time spent up to now is 54.9 secs Computing kpt #: 159 total cpu time spent up to now is 55.2 secs Computing kpt #: 160 total cpu time spent up to now is 55.5 secs Computing kpt #: 161 total cpu time spent up to now is 55.8 secs Computing kpt #: 162 total cpu time spent up to now is 56.2 secs Computing kpt #: 163 total cpu time spent up to now is 56.5 secs Computing kpt #: 164 total cpu time spent up to now is 56.9 secs Computing kpt #: 165 total cpu time spent up to now is 57.2 secs Computing kpt #: 166 total cpu time spent up to now is 57.5 secs Computing kpt #: 167 total cpu time spent up to now is 57.9 secs Computing kpt #: 168 total cpu time spent up to now is 58.2 secs Computing kpt #: 169 total cpu time spent up to now is 58.5 secs Computing kpt #: 170 total cpu time spent up to now is 58.9 secs Computing kpt #: 171 total cpu time spent up to now is 59.2 secs Computing kpt #: 172 total cpu time spent up to now is 59.5 secs Computing kpt #: 173 total cpu time spent up to now is 59.9 secs Computing kpt #: 174 total cpu time spent up to now is 60.2 secs Computing kpt #: 175 total cpu time spent up to now is 60.6 secs Computing kpt #: 176 total cpu time spent up to now is 60.9 secs Computing kpt #: 177 total cpu time spent up to now is 61.2 secs Computing kpt #: 178 total cpu time spent up to now is 61.6 secs Computing kpt #: 179 total cpu time spent up to now is 61.9 secs Computing kpt #: 180 total cpu time spent up to now is 62.2 secs Computing kpt #: 181 total cpu time spent up to now is 62.6 secs Computing kpt #: 182 total cpu time spent up to now is 62.9 secs Computing kpt #: 183 total cpu time spent up to now is 63.2 secs Computing kpt #: 184 total cpu time spent up to now is 63.5 secs Computing kpt #: 185 total cpu time spent up to now is 63.9 secs Computing kpt #: 186 total cpu time spent up to now is 64.2 secs Computing kpt #: 187 total cpu time spent up to now is 64.5 secs Computing kpt #: 188 total cpu time spent up to now is 64.8 secs Computing kpt #: 189 total cpu time spent up to now is 65.1 secs Computing kpt #: 190 total cpu time spent up to now is 65.5 secs Computing kpt #: 191 total cpu time spent up to now is 65.8 secs Computing kpt #: 192 total cpu time spent up to now is 66.1 secs Computing kpt #: 193 total cpu time spent up to now is 66.4 secs Computing kpt #: 194 total cpu time spent up to now is 66.7 secs Computing kpt #: 195 total cpu time spent up to now is 67.0 secs Computing kpt #: 196 total cpu time spent up to now is 67.3 secs Computing kpt #: 197 total cpu time spent up to now is 67.6 secs Computing kpt #: 198 total cpu time spent up to now is 68.0 secs Computing kpt #: 199 total cpu time spent up to now is 68.3 secs Computing kpt #: 200 total cpu time spent up to now is 68.6 secs Computing kpt #: 201 total cpu time spent up to now is 68.9 secs Computing kpt #: 202 total cpu time spent up to now is 69.2 secs Computing kpt #: 203 total cpu time spent up to now is 69.5 secs Computing kpt #: 204 total cpu time spent up to now is 69.8 secs Computing kpt #: 205 total cpu time spent up to now is 70.1 secs Computing kpt #: 206 total cpu time spent up to now is 70.4 secs Computing kpt #: 207 total cpu time spent up to now is 70.7 secs Computing kpt #: 208 total cpu time spent up to now is 71.1 secs Computing kpt #: 209 total cpu time spent up to now is 71.4 secs Computing kpt #: 210 total cpu time spent up to now is 71.7 secs Computing kpt #: 211 total cpu time spent up to now is 72.1 secs Computing kpt #: 212 total cpu time spent up to now is 72.4 secs Computing kpt #: 213 total cpu time spent up to now is 72.7 secs Computing kpt #: 214 total cpu time spent up to now is 73.0 secs Computing kpt #: 215 total cpu time spent up to now is 73.3 secs Computing kpt #: 216 total cpu time spent up to now is 73.6 secs Computing kpt #: 217 total cpu time spent up to now is 73.9 secs Computing kpt #: 218 total cpu time spent up to now is 74.2 secs Computing kpt #: 219 total cpu time spent up to now is 74.5 secs Computing kpt #: 220 total cpu time spent up to now is 74.8 secs Computing kpt #: 221 total cpu time spent up to now is 75.2 secs Computing kpt #: 222 total cpu time spent up to now is 75.5 secs Computing kpt #: 223 total cpu time spent up to now is 75.8 secs Computing kpt #: 224 total cpu time spent up to now is 76.1 secs Computing kpt #: 225 total cpu time spent up to now is 76.4 secs Computing kpt #: 226 total cpu time spent up to now is 76.7 secs Computing kpt #: 227 total cpu time spent up to now is 77.0 secs Computing kpt #: 228 total cpu time spent up to now is 77.4 secs Computing kpt #: 229 total cpu time spent up to now is 77.7 secs Computing kpt #: 230 total cpu time spent up to now is 78.0 secs Computing kpt #: 231 total cpu time spent up to now is 78.3 secs Computing kpt #: 232 total cpu time spent up to now is 78.6 secs Computing kpt #: 233 total cpu time spent up to now is 79.0 secs Computing kpt #: 234 total cpu time spent up to now is 79.3 secs Computing kpt #: 235 total cpu time spent up to now is 79.7 secs Computing kpt #: 236 total cpu time spent up to now is 80.0 secs Computing kpt #: 237 total cpu time spent up to now is 80.3 secs Computing kpt #: 238 total cpu time spent up to now is 80.7 secs Computing kpt #: 239 total cpu time spent up to now is 81.0 secs Computing kpt #: 240 total cpu time spent up to now is 81.3 secs Computing kpt #: 241 total cpu time spent up to now is 81.7 secs Computing kpt #: 242 total cpu time spent up to now is 82.0 secs Computing kpt #: 243 total cpu time spent up to now is 82.4 secs Computing kpt #: 244 total cpu time spent up to now is 82.7 secs Computing kpt #: 245 total cpu time spent up to now is 83.0 secs Computing kpt #: 246 total cpu time spent up to now is 83.4 secs Computing kpt #: 247 total cpu time spent up to now is 83.7 secs Computing kpt #: 248 total cpu time spent up to now is 84.1 secs Computing kpt #: 249 total cpu time spent up to now is 84.5 secs Computing kpt #: 250 total cpu time spent up to now is 84.8 secs Computing kpt #: 251 total cpu time spent up to now is 85.2 secs Computing kpt #: 252 total cpu time spent up to now is 85.5 secs Computing kpt #: 253 total cpu time spent up to now is 85.9 secs Computing kpt #: 254 total cpu time spent up to now is 86.2 secs Computing kpt #: 255 total cpu time spent up to now is 86.6 secs Computing kpt #: 256 total cpu time spent up to now is 86.9 secs Computing kpt #: 257 total cpu time spent up to now is 87.3 secs Computing kpt #: 258 total cpu time spent up to now is 87.7 secs Computing kpt #: 259 total cpu time spent up to now is 88.1 secs Computing kpt #: 260 total cpu time spent up to now is 88.4 secs Computing kpt #: 261 total cpu time spent up to now is 88.8 secs Computing kpt #: 262 total cpu time spent up to now is 89.2 secs Computing kpt #: 263 total cpu time spent up to now is 89.6 secs Computing kpt #: 264 total cpu time spent up to now is 89.9 secs Computing kpt #: 265 total cpu time spent up to now is 90.3 secs Computing kpt #: 266 total cpu time spent up to now is 90.7 secs Computing kpt #: 267 total cpu time spent up to now is 91.0 secs Computing kpt #: 268 total cpu time spent up to now is 91.4 secs Computing kpt #: 269 total cpu time spent up to now is 91.7 secs Computing kpt #: 270 total cpu time spent up to now is 92.0 secs Computing kpt #: 271 total cpu time spent up to now is 92.4 secs Computing kpt #: 272 total cpu time spent up to now is 92.7 secs Computing kpt #: 273 total cpu time spent up to now is 93.0 secs Computing kpt #: 274 total cpu time spent up to now is 93.4 secs Computing kpt #: 275 total cpu time spent up to now is 93.7 secs Computing kpt #: 276 total cpu time spent up to now is 94.0 secs Computing kpt #: 277 total cpu time spent up to now is 94.4 secs Computing kpt #: 278 total cpu time spent up to now is 94.7 secs Computing kpt #: 279 total cpu time spent up to now is 95.1 secs Computing kpt #: 280 total cpu time spent up to now is 95.4 secs Computing kpt #: 281 total cpu time spent up to now is 95.7 secs Computing kpt #: 282 total cpu time spent up to now is 96.1 secs Computing kpt #: 283 total cpu time spent up to now is 96.4 secs Computing kpt #: 284 total cpu time spent up to now is 96.8 secs Computing kpt #: 285 total cpu time spent up to now is 97.2 secs Computing kpt #: 286 total cpu time spent up to now is 97.5 secs Computing kpt #: 287 total cpu time spent up to now is 97.8 secs Computing kpt #: 288 total cpu time spent up to now is 98.2 secs Computing kpt #: 289 total cpu time spent up to now is 98.5 secs Computing kpt #: 290 total cpu time spent up to now is 98.9 secs Computing kpt #: 291 total cpu time spent up to now is 99.2 secs Computing kpt #: 292 total cpu time spent up to now is 99.5 secs Computing kpt #: 293 total cpu time spent up to now is 99.8 secs Computing kpt #: 294 total cpu time spent up to now is 100.1 secs Computing kpt #: 295 total cpu time spent up to now is 100.5 secs Computing kpt #: 296 total cpu time spent up to now is 100.8 secs Computing kpt #: 297 total cpu time spent up to now is 101.1 secs Computing kpt #: 298 total cpu time spent up to now is 101.4 secs Computing kpt #: 299 total cpu time spent up to now is 101.7 secs Computing kpt #: 300 total cpu time spent up to now is 102.1 secs Computing kpt #: 301 total cpu time spent up to now is 102.4 secs Computing kpt #: 302 total cpu time spent up to now is 102.7 secs Computing kpt #: 303 total cpu time spent up to now is 103.0 secs Computing kpt #: 304 total cpu time spent up to now is 103.3 secs Computing kpt #: 305 total cpu time spent up to now is 103.7 secs Computing kpt #: 306 total cpu time spent up to now is 104.0 secs Computing kpt #: 307 total cpu time spent up to now is 104.3 secs ethr = 2.38E-08, avg # of iterations = 19.5 total cpu time spent up to now is 104.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -48.7524 -48.7524 -24.6261 -24.6261 -22.1568 -22.1568 -22.1568 -22.1568 -22.0811 -22.0811 -6.6668 -6.6668 -6.0131 -6.0131 -6.0131 -6.0131 -4.8457 -4.8457 -3.7047 -3.7047 -3.7047 -3.7047 7.9843 7.9843 8.2155 8.2155 8.2155 8.2155 9.4474 9.4474 9.4474 9.4474 9.4633 9.4633 10.0292 10.0292 10.1308 10.1308 10.1308 10.1308 11.9762 11.9762 11.9762 11.9762 12.1052 12.1052 15.7609 15.7609 15.7609 15.7609 k = 0.0000 0.0125-0.0000 ( 2517 PWs) bands (ev): -48.7524 -48.7524 -24.6262 -24.6262 -22.1571 -22.1571 -22.1568 -22.1568 -22.0809 -22.0809 -6.6666 -6.6666 -6.0131 -6.0131 -6.0128 -6.0128 -4.8453 -4.8453 -3.7046 -3.7046 -3.7042 -3.7042 7.9831 7.9831 8.2134 8.2134 8.2152 8.2152 9.4444 9.4444 9.4455 9.4455 9.4609 9.4609 10.0262 10.0262 10.1258 10.1258 10.1293 10.1293 11.9783 11.9783 11.9821 11.9821 12.1092 12.1092 15.7609 15.7609 15.7684 15.7684 k = 0.0000 0.0250-0.0000 ( 2517 PWs) bands (ev): -48.7524 -48.7524 -24.6262 -24.6262 -22.1579 -22.1579 -22.1568 -22.1568 -22.0802 -22.0802 -6.6663 -6.6663 -6.0129 -6.0129 -6.0119 -6.0119 -4.8440 -4.8440 -3.7045 -3.7045 -3.7027 -3.7027 7.9796 7.9796 8.2071 8.2071 8.2141 8.2141 9.4356 9.4356 9.4394 9.4394 9.4545 9.4545 10.0165 10.0165 10.1118 10.1118 10.1251 10.1251 11.9840 11.9840 11.9993 11.9993 12.1214 12.1214 15.7610 15.7610 15.7905 15.7905 k = 0.0000 0.0375-0.0000 ( 2521 PWs) bands (ev): -48.7524 -48.7524 -24.6264 -24.6264 -22.1593 -22.1593 -22.1567 -22.1567 -22.0791 -22.0791 -6.6659 -6.6659 -6.0127 -6.0127 -6.0102 -6.0102 -4.8419 -4.8419 -3.7042 -3.7042 -3.7001 -3.7001 7.9734 7.9734 8.1968 8.1968 8.2123 8.2123 9.4210 9.4210 9.4277 9.4277 9.4454 9.4454 9.9986 9.9986 10.0913 10.0913 10.1183 10.1183 11.9916 11.9916 12.0276 12.0276 12.1430 12.1430 15.7611 15.7611 15.8266 15.8266 k = 0.0000 0.0500-0.0000 ( 2525 PWs) bands (ev): -48.7524 -48.7524 -24.6266 -24.6266 -22.1612 -22.1612 -22.1567 -22.1567 -22.0777 -22.0777 -6.6654 -6.6654 -6.0124 -6.0124 -6.0077 -6.0077 -4.8390 -4.8390 -3.7038 -3.7038 -3.6966 -3.6966 7.9641 7.9641 8.1830 8.1830 8.2099 8.2099 9.4008 9.4008 9.4095 9.4095 9.4349 9.4349 9.9694 9.9694 10.0685 10.0685 10.1095 10.1095 11.9998 11.9998 12.0663 12.0663 12.1749 12.1749 15.7613 15.7613 15.8758 15.8758 k = 0.0000 0.0625-0.0000 ( 2525 PWs) bands (ev): -48.7524 -48.7524 -24.6269 -24.6269 -22.1635 -22.1635 -22.1567 -22.1567 -22.0760 -22.0760 -6.6649 -6.6649 -6.0119 -6.0119 -6.0043 -6.0043 -4.8353 -4.8353 -3.7033 -3.7033 -3.6922 -3.6922 7.9509 7.9509 8.1665 8.1665 8.2068 8.2068 9.3752 9.3752 9.3852 9.3852 9.4228 9.4228 9.9269 9.9269 10.0474 10.0474 10.0991 10.0991 12.0074 12.0074 12.1145 12.1145 12.2173 12.2173 15.7614 15.7614 15.9364 15.9364 k = 0.0000 0.0750-0.0000 ( 2525 PWs) bands (ev): -48.7524 -48.7524 -24.6272 -24.6272 -22.1662 -22.1662 -22.1566 -22.1566 -22.0740 -22.0740 -6.6646 -6.6646 -6.0114 -6.0114 -5.9998 -5.9998 -4.8310 -4.8310 -3.7028 -3.7028 -3.6867 -3.6867 7.9329 7.9329 8.1482 8.1482 8.2030 8.2030 9.3445 9.3445 9.3556 9.3556 9.4089 9.4089 9.8721 9.8721 10.0288 10.0288 10.0876 10.0876 12.0145 12.0145 12.1712 12.1712 12.2694 12.2694 15.7617 15.7617 16.0069 16.0069 k = 0.0000 0.0875-0.0000 ( 2525 PWs) bands (ev): -48.7524 -48.7524 -24.6276 -24.6276 -22.1691 -22.1691 -22.1565 -22.1565 -22.0718 -22.0718 -6.6647 -6.6647 -6.0108 -6.0108 -5.9939 -5.9939 -4.8260 -4.8260 -3.7021 -3.7021 -3.6804 -3.6804 7.9088 7.9088 8.1292 8.1292 8.1985 8.1985 9.3092 9.3092 9.3213 9.3213 9.3930 9.3930 9.8074 9.8074 10.0121 10.0121 10.0755 10.0755 12.0210 12.0210 12.2356 12.2356 12.3302 12.3302 15.7620 15.7620 16.0852 16.0852 k = 0.0000 0.1000-0.0000 ( 2529 PWs) bands (ev): -48.7524 -48.7524 -24.6281 -24.6281 -22.1724 -22.1724 -22.1564 -22.1564 -22.0695 -22.0695 -6.6652 -6.6652 -6.0101 -6.0101 -5.9866 -5.9866 -4.8204 -4.8204 -3.7013 -3.7013 -3.6732 -3.6732 7.8775 7.8775 8.1108 8.1108 8.1935 8.1935 9.2697 9.2697 9.2829 9.2829 9.3753 9.3753 9.7353 9.7353 9.9967 9.9967 10.0631 10.0631 12.0273 12.0273 12.3067 12.3067 12.3985 12.3985 15.7623 15.7623 16.1690 16.1690 k = 0.0000 0.1125-0.0000 ( 2529 PWs) bands (ev): -48.7524 -48.7524 -24.6285 -24.6285 -22.1758 -22.1758 -22.1564 -22.1564 -22.0671 -22.0671 -6.6664 -6.6664 -6.0094 -6.0094 -5.9776 -5.9776 -4.8144 -4.8144 -3.7005 -3.7005 -3.6652 -3.6652 7.8381 7.8381 8.0938 8.0938 8.1879 8.1879 9.2267 9.2267 9.2411 9.2411 9.3557 9.3557 9.6581 9.6581 9.9823 9.9823 10.0508 10.0508 12.0335 12.0335 12.3836 12.3836 12.4732 12.4732 15.7626 15.7626 16.2560 16.2560 k = 0.0000 0.1250-0.0000 ( 2521 PWs) bands (ev): -48.7522 -48.7522 -24.6290 -24.6290 -22.1794 -22.1794 -22.1562 -22.1562 -22.0646 -22.0646 -6.6684 -6.6684 -6.0085 -6.0085 -5.9668 -5.9668 -4.8080 -4.8080 -3.6995 -3.6995 -3.6564 -3.6564 7.7905 7.7905 8.0785 8.0785 8.1817 8.1817 9.1807 9.1807 9.1963 9.1963 9.3346 9.3346 9.5774 9.5774 9.9687 9.9687 10.0387 10.0387 12.0397 12.0397 12.4654 12.4654 12.5534 12.5534 15.7630 15.7630 16.3420 16.3420 k = 0.0000 0.1375-0.0000 ( 2537 PWs) bands (ev): -48.7524 -48.7524 -24.6297 -24.6297 -22.1832 -22.1832 -22.1562 -22.1562 -22.0620 -22.0620 -6.6713 -6.6713 -6.0076 -6.0076 -5.9540 -5.9540 -4.8012 -4.8012 -3.6985 -3.6985 -3.6470 -3.6470 7.7347 7.7347 8.0649 8.0649 8.1751 8.1751 9.1322 9.1322 9.1492 9.1492 9.3119 9.3119 9.4949 9.4949 9.9558 9.9558 10.0268 10.0268 12.0461 12.0461 12.5515 12.5515 12.6382 12.6382 15.7634 15.7634 16.4011 16.4011 k = 0.0000 0.1500-0.0000 ( 2529 PWs) bands (ev): -48.7523 -48.7523 -24.6302 -24.6302 -22.1870 -22.1870 -22.1560 -22.1560 -22.0594 -22.0594 -6.6751 -6.6751 -6.0066 -6.0066 -5.9391 -5.9391 -4.7942 -4.7942 -3.6974 -3.6974 -3.6368 -3.6368 7.6712 7.6712 8.0527 8.0527 8.1679 8.1679 9.0819 9.0819 9.1004 9.1004 9.2880 9.2880 9.4117 9.4117 9.9435 9.9435 10.0154 10.0154 12.0526 12.0526 12.6410 12.6410 12.7267 12.7267 15.7638 15.7638 16.4510 16.4510 k = 0.0000 0.1625-0.0000 ( 2529 PWs) bands (ev): -48.7522 -48.7522 -24.6309 -24.6309 -22.1910 -22.1910 -22.1559 -22.1559 -22.0568 -22.0568 -6.6800 -6.6800 -6.0056 -6.0056 -5.9221 -5.9221 -4.7870 -4.7870 -3.6962 -3.6962 -3.6261 -3.6261 7.6005 7.6005 8.0417 8.0417 8.1604 8.1604 9.0303 9.0303 9.0503 9.0503 9.2629 9.2629 9.3291 9.3291 9.9318 9.9318 10.0044 10.0044 12.0594 12.0594 12.7334 12.7334 12.8184 12.8184 15.7643 15.7643 16.5033 16.5033 k = 0.0000 0.1750-0.0000 ( 2529 PWs) bands (ev): -48.7522 -48.7522 -24.6316 -24.6316 -22.1950 -22.1950 -22.1558 -22.1558 -22.0542 -22.0542 -6.6859 -6.6859 -6.0045 -6.0045 -5.9031 -5.9031 -4.7797 -4.7797 -3.6950 -3.6950 -3.6148 -3.6148 7.5235 7.5235 8.0315 8.0315 8.1524 8.1524 8.9779 8.9779 8.9994 8.9994 9.2369 9.2369 9.2479 9.2479 9.9206 9.9206 9.9938 9.9938 12.0663 12.0663 12.8280 12.8280 12.9125 12.9125 15.7648 15.7648 16.5583 16.5583 k = 0.0000 0.1875-0.0000 ( 2533 PWs) bands (ev): -48.7522 -48.7522 -24.6323 -24.6323 -22.1990 -22.1990 -22.1557 -22.1557 -22.0517 -22.0517 -6.6928 -6.6928 -6.0034 -6.0034 -5.8820 -5.8820 -4.7724 -4.7724 -3.6938 -3.6938 -3.6031 -3.6031 7.4407 7.4407 8.0220 8.0220 8.1442 8.1442 8.9250 8.9250 8.9481 8.9481 9.1689 9.1689 9.2102 9.2102 9.9100 9.9100 9.9836 9.9836 12.0735 12.0735 12.9244 12.9244 13.0085 13.0085 15.7653 15.7653 16.6160 16.6160 k = 0.0000 0.2000-0.0000 ( 2533 PWs) bands (ev): -48.7521 -48.7521 -24.6330 -24.6330 -22.2030 -22.2030 -22.1555 -22.1555 -22.0492 -22.0492 -6.7006 -6.7006 -6.0022 -6.0022 -5.8589 -5.8589 -4.7651 -4.7651 -3.6925 -3.6925 -3.5910 -3.5910 7.3529 7.3529 8.0129 8.0129 8.1357 8.1357 8.8720 8.8720 8.8968 8.8968 9.0926 9.0926 9.1829 9.1829 9.8998 9.8998 9.9739 9.9739 12.0809 12.0809 13.0220 13.0220 13.1059 13.1059 15.7659 15.7659 16.6761 16.6761 k = 0.0000 0.2125-0.0000 ( 2533 PWs) bands (ev): -48.7521 -48.7521 -24.6338 -24.6338 -22.2070 -22.2070 -22.1554 -22.1554 -22.0467 -22.0467 -6.7093 -6.7093 -6.0011 -6.0011 -5.8340 -5.8340 -4.7578 -4.7578 -3.6911 -3.6911 -3.5786 -3.5786 7.2610 7.2610 8.0043 8.0043 8.1270 8.1270 8.8193 8.8193 8.8459 8.8459 9.0194 9.0194 9.1552 9.1552 9.8900 9.8900 9.9645 9.9645 12.0884 12.0884 13.1203 13.1203 13.2041 13.2041 15.7664 15.7664 16.7384 16.7384 k = 0.0000 0.2250-0.0000 ( 2529 PWs) bands (ev): -48.7520 -48.7520 -24.6345 -24.6345 -22.2110 -22.2110 -22.1552 -22.1552 -22.0443 -22.0443 -6.7188 -6.7188 -5.9998 -5.9998 -5.8075 -5.8075 -4.7507 -4.7507 -3.6897 -3.6897 -3.5660 -3.5660 7.1656 7.1656 7.9961 7.9961 8.1181 8.1181 8.7672 8.7672 8.7956 8.7956 8.9496 8.9496 9.1274 9.1274 9.8806 9.8806 9.9556 9.9556 12.0960 12.0960 13.2189 13.2189 13.3027 13.3027 15.7670 15.7670 16.8025 16.8025 k = 0.0000 0.2375-0.0000 ( 2529 PWs) bands (ev): -48.7519 -48.7519 -24.6353 -24.6353 -22.2149 -22.2149 -22.1551 -22.1551 -22.0420 -22.0420 -6.7288 -6.7288 -5.9986 -5.9986 -5.7796 -5.7796 -4.7437 -4.7437 -3.6884 -3.6884 -3.5533 -3.5533 7.0677 7.0677 7.9882 7.9882 8.1092 8.1092 8.7159 8.7159 8.7462 8.7462 8.8832 8.8832 9.0995 9.0995 9.8717 9.8717 9.9470 9.9470 12.1038 12.1038 13.3173 13.3173 13.4012 13.4012 15.7676 15.7676 16.8682 16.8682 k = 0.0000 0.2500-0.0000 ( 2521 PWs) bands (ev): -48.7518 -48.7518 -24.6361 -24.6361 -22.2187 -22.2187 -22.1549 -22.1549 -22.0397 -22.0397 -6.7394 -6.7394 -5.9974 -5.9974 -5.7504 -5.7504 -4.7369 -4.7369 -3.6870 -3.6870 -3.5405 -3.5405 6.9681 6.9681 7.9807 7.9807 8.1003 8.1003 8.6656 8.6656 8.6980 8.6980 8.8203 8.8203 9.0718 9.0718 9.8631 9.8631 9.9388 9.9388 12.1116 12.1116 13.4150 13.4150 13.4992 13.4992 15.7682 15.7682 16.9352 16.9352 k = 0.0000 0.2625-0.0000 ( 2537 PWs) bands (ev): -48.7519 -48.7519 -24.6370 -24.6370 -22.2226 -22.2226 -22.1548 -22.1548 -22.0375 -22.0375 -6.7504 -6.7504 -5.9961 -5.9961 -5.7203 -5.7203 -4.7303 -4.7303 -3.6856 -3.6856 -3.5277 -3.5277 6.8677 6.8677 7.9735 7.9735 8.0914 8.0914 8.6165 8.6165 8.6510 8.6510 8.7609 8.7609 9.0445 9.0445 9.8549 9.8549 9.9310 9.9310 12.1194 12.1194 13.5118 13.5118 13.5962 13.5962 15.7688 15.7688 17.0031 17.0031 k = 0.0000 0.2750-0.0000 ( 2537 PWs) bands (ev): -48.7519 -48.7519 -24.6377 -24.6377 -22.2262 -22.2262 -22.1547 -22.1547 -22.0354 -22.0354 -6.7616 -6.7616 -5.9949 -5.9949 -5.6895 -5.6895 -4.7240 -4.7240 -3.6842 -3.6842 -3.5151 -3.5151 6.7673 6.7673 7.9668 7.9668 8.0827 8.0827 8.5687 8.5687 8.6055 8.6055 8.7051 8.7051 9.0176 9.0176 9.8471 9.8471 9.9235 9.9235 12.1272 12.1272 13.6071 13.6071 13.6919 13.6919 15.7695 15.7695 17.0715 17.0715 k = 0.0000 0.2875-0.0000 ( 2533 PWs) bands (ev): -48.7518 -48.7518 -24.6385 -24.6385 -22.2298 -22.2298 -22.1545 -22.1545 -22.0334 -22.0334 -6.7729 -6.7729 -5.9937 -5.9937 -5.6582 -5.6582 -4.7179 -4.7179 -3.6828 -3.6828 -3.5026 -3.5026 6.6676 6.6676 7.9605 7.9605 8.0741 8.0741 8.5225 8.5225 8.5617 8.5617 8.6526 8.6526 8.9913 8.9913 9.8396 9.8396 9.9164 9.9164 12.1349 12.1349 13.7005 13.7005 13.7857 13.7857 15.7701 15.7701 17.1402 17.1402 k = 0.0000 0.3000-0.0000 ( 2533 PWs) bands (ev): -48.7517 -48.7517 -24.6393 -24.6393 -22.2332 -22.2332 -22.1544 -22.1544 -22.0315 -22.0315 -6.7842 -6.7842 -5.9925 -5.9925 -5.6267 -5.6267 -4.7122 -4.7122 -3.6815 -3.6815 -3.4904 -3.4904 6.5696 6.5696 7.9547 7.9547 8.0659 8.0659 8.4779 8.4779 8.5196 8.5196 8.6034 8.6034 8.9658 8.9658 9.8326 9.8326 9.9097 9.9097 12.1424 12.1424 13.7916 13.7916 13.8772 13.8772 15.7707 15.7707 17.2086 17.2086 k = 0.0000 0.3125-0.0000 ( 2525 PWs) bands (ev): -48.7516 -48.7516 -24.6400 -24.6400 -22.2365 -22.2365 -22.1542 -22.1542 -22.0296 -22.0296 -6.7954 -6.7954 -5.9913 -5.9913 -5.5953 -5.5953 -4.7068 -4.7068 -3.6801 -3.6801 -3.4785 -3.4785 6.4738 6.4738 7.9495 7.9495 8.0579 8.0579 8.4350 8.4350 8.4794 8.4794 8.5575 8.5575 8.9412 8.9412 9.8259 9.8259 9.9034 9.9034 12.1499 12.1499 13.8800 13.8800 13.9661 13.9661 15.7713 15.7713 17.2765 17.2765 k = 0.0000 0.3250-0.0000 ( 2529 PWs) bands (ev): -48.7516 -48.7516 -24.6407 -24.6407 -22.2396 -22.2396 -22.1541 -22.1541 -22.0279 -22.0279 -6.8063 -6.8063 -5.9902 -5.9902 -5.5643 -5.5643 -4.7017 -4.7017 -3.6789 -3.6789 -3.4671 -3.4671 6.3809 6.3809 7.9448 7.9448 8.0504 8.0504 8.3939 8.3939 8.4412 8.4412 8.5148 8.5148 8.9176 8.9176 9.8196 9.8196 9.8975 9.8975 12.1571 12.1571 13.9653 13.9653 14.0518 14.0518 15.7719 15.7719 17.3433 17.3433 k = 0.0000 0.3375-0.0000 ( 2525 PWs) bands (ev): -48.7515 -48.7515 -24.6414 -24.6414 -22.2426 -22.2426 -22.1539 -22.1539 -22.0263 -22.0263 -6.8169 -6.8169 -5.9891 -5.9891 -5.5340 -5.5340 -4.6969 -4.6969 -3.6777 -3.6777 -3.4561 -3.4561 6.2917 6.2917 7.9409 7.9409 8.0433 8.0433 8.3547 8.3547 8.4051 8.4051 8.4752 8.4752 8.8952 8.8952 9.8137 9.8137 9.8920 9.8920 12.1640 12.1640 14.0471 14.0471 14.1341 14.1341 15.7725 15.7725 17.4086 17.4086 k = 0.0000 0.3500-0.0000 ( 2525 PWs) bands (ev): -48.7515 -48.7515 -24.6420 -24.6420 -22.2454 -22.2454 -22.1538 -22.1538 -22.0248 -22.0248 -6.8271 -6.8271 -5.9880 -5.9880 -5.5045 -5.5045 -4.6925 -4.6925 -3.6765 -3.6765 -3.4456 -3.4456 6.2067 6.2067 7.9377 7.9377 8.0367 8.0367 8.3175 8.3175 8.3711 8.3711 8.4387 8.4387 8.8740 8.8740 9.8083 9.8083 9.8868 9.8868 12.1707 12.1707 14.1249 14.1249 14.2123 14.2123 15.7731 15.7731 17.4720 17.4720 k = 0.0000 0.3625-0.0000 ( 2545 PWs) bands (ev): -48.7517 -48.7517 -24.6428 -24.6428 -22.2481 -22.2481 -22.1538 -22.1538 -22.0234 -22.0234 -6.8367 -6.8367 -5.9871 -5.9871 -5.4762 -5.4762 -4.6885 -4.6885 -3.6754 -3.6754 -3.4358 -3.4358 6.1264 6.1264 7.9352 7.9352 8.0307 8.0307 8.2823 8.2823 8.3393 8.3393 8.4051 8.4051 8.8541 8.8541 9.8032 9.8032 9.8821 9.8821 12.1769 12.1769 14.1984 14.1984 14.2863 14.2863 15.7737 15.7737 17.5331 17.5331 k = 0.0000 0.3750-0.0000 ( 2545 PWs) bands (ev): -48.7516 -48.7516 -24.6434 -24.6434 -22.2505 -22.2505 -22.1537 -22.1537 -22.0221 -22.0221 -6.8458 -6.8458 -5.9861 -5.9861 -5.4494 -5.4494 -4.6848 -4.6848 -3.6744 -3.6744 -3.4266 -3.4266 6.0514 6.0514 7.9336 7.9336 8.0253 8.0253 8.2492 8.2492 8.3098 8.3098 8.3746 8.3746 8.8357 8.8357 9.7986 9.7986 9.8777 9.8777 12.1829 12.1829 14.2671 14.2671 14.3554 14.3554 15.7742 15.7742 17.5912 17.5912 k = 0.0000 0.3875-0.0000 ( 2545 PWs) bands (ev): -48.7516 -48.7516 -24.6439 -24.6439 -22.2527 -22.2527 -22.1536 -22.1536 -22.0210 -22.0210 -6.8542 -6.8542 -5.9853 -5.9853 -5.4243 -5.4243 -4.6814 -4.6814 -3.6734 -3.6734 -3.4182 -3.4182 5.9821 5.9821 7.9328 7.9328 8.0206 8.0206 8.2183 8.2183 8.2827 8.2827 8.3469 8.3469 8.8188 8.8188 9.7944 9.7944 9.8738 9.8738 12.1883 12.1883 14.3306 14.3306 14.4194 14.4194 15.7748 15.7748 17.6460 17.6460 k = 0.0000 0.4000-0.0000 ( 2541 PWs) bands (ev): -48.7515 -48.7515 -24.6444 -24.6444 -22.2547 -22.2547 -22.1535 -22.1535 -22.0199 -22.0199 -6.8619 -6.8619 -5.9845 -5.9845 -5.4011 -5.4011 -4.6784 -4.6784 -3.6725 -3.6725 -3.4105 -3.4105 5.9189 5.9189 7.9329 7.9329 8.0166 8.0166 8.1895 8.1895 8.2580 8.2580 8.3223 8.3223 8.8034 8.8034 9.7906 9.7906 9.8703 9.8703 12.1933 12.1933 14.3886 14.3886 14.4778 14.4778 15.7753 15.7753 17.6970 17.6970 k = 0.0000 0.4125-0.0000 ( 2541 PWs) bands (ev): -48.7515 -48.7515 -24.6448 -24.6448 -22.2564 -22.2564 -22.1534 -22.1534 -22.0190 -22.0190 -6.8688 -6.8688 -5.9838 -5.9838 -5.3800 -5.3800 -4.6758 -4.6758 -3.6718 -3.6718 -3.4036 -3.4036 5.8623 5.8623 7.9339 7.9339 8.0132 8.0132 8.1631 8.1631 8.2358 8.2358 8.3005 8.3005 8.7898 8.7898 9.7872 9.7872 9.8672 9.8672 12.1978 12.1978 14.4408 14.4408 14.5303 14.5303 15.7757 15.7757 17.7436 17.7442 k = 0.0000 0.4250-0.0000 ( 2533 PWs) bands (ev): -48.7514 -48.7514 -24.6452 -24.6452 -22.2580 -22.2580 -22.1533 -22.1533 -22.0181 -22.0181 -6.8748 -6.8748 -5.9832 -5.9832 -5.3613 -5.3613 -4.6736 -4.6736 -3.6711 -3.6711 -3.3975 -3.3975 5.8125 5.8125 7.9358 7.9358 8.0105 8.0105 8.1391 8.1391 8.2162 8.2162 8.2816 8.2816 8.7778 8.7778 9.7843 9.7843 9.8645 9.8645 12.2018 12.2018 14.4868 14.4868 14.5766 14.5766 15.7762 15.7762 17.7791 17.7791 k = 0.0000 0.4375-0.0000 ( 2533 PWs) bands (ev): -48.7514 -48.7514 -24.6455 -24.6455 -22.2593 -22.2593 -22.1533 -22.1533 -22.0175 -22.0175 -6.8800 -6.8800 -5.9827 -5.9827 -5.3452 -5.3452 -4.6716 -4.6716 -3.6705 -3.6705 -3.3923 -3.3923 5.7699 5.7699 7.9384 7.9384 8.0084 8.0084 8.1177 8.1177 8.1993 8.1993 8.2657 8.2657 8.7676 8.7676 9.7819 9.7819 9.8622 9.8622 12.2052 12.2052 14.5262 14.5262 14.6163 14.6163 15.7765 15.7765 17.8091 17.8091 k = 0.0000 0.4500-0.0000 ( 2549 PWs) bands (ev): -48.7515 -48.7515 -24.6459 -24.6459 -22.2604 -22.2604 -22.1533 -22.1533 -22.0169 -22.0169 -6.8844 -6.8844 -5.9823 -5.9823 -5.3317 -5.3317 -4.6701 -4.6701 -3.6700 -3.6700 -3.3881 -3.3881 5.7347 5.7347 7.9415 7.9415 8.0069 8.0069 8.0990 8.0990 8.1853 8.1853 8.2526 8.2526 8.7592 8.7592 9.7798 9.7798 9.8603 9.8603 12.2081 12.2081 14.5588 14.5588 14.6492 14.6492 15.7768 15.7768 17.8339 17.8339 k = 0.0000 0.4625-0.0000 ( 2544 PWs) bands (ev): -48.7515 -48.7515 -24.6461 -24.6461 -22.2613 -22.2613 -22.1532 -22.1532 -22.0165 -22.0165 -6.8877 -6.8877 -5.9819 -5.9819 -5.3211 -5.3211 -4.6689 -4.6689 -3.6696 -3.6696 -3.3847 -3.3847 5.7071 5.7071 7.9449 7.9449 8.0059 8.0059 8.0835 8.0835 8.1741 8.1741 8.2425 8.2425 8.7526 8.7526 9.7783 9.7783 9.8588 9.8588 12.2103 12.2103 14.5845 14.5845 14.6750 14.6750 15.7771 15.7771 17.8534 17.8534 k = 0.0000 0.4750-0.0000 ( 2544 PWs) bands (ev): -48.7515 -48.7515 -24.6462 -24.6462 -22.2619 -22.2619 -22.1532 -22.1532 -22.0161 -22.0161 -6.8902 -6.8902 -5.9817 -5.9817 -5.3134 -5.3134 -4.6681 -4.6681 -3.6694 -3.6694 -3.3823 -3.3823 5.6872 5.6872 7.9481 7.9481 8.0053 8.0053 8.0717 8.0717 8.1660 8.1660 8.2352 8.2352 8.7479 8.7479 9.7771 9.7771 9.8578 9.8578 12.2119 12.2119 14.6029 14.6029 14.6935 14.6935 15.7773 15.7773 17.8675 17.8675 k = 0.0000 0.4875-0.0000 ( 2560 PWs) bands (ev): -48.7516 -48.7516 -24.6464 -24.6464 -22.2623 -22.2623 -22.1533 -22.1533 -22.0160 -22.0160 -6.8916 -6.8916 -5.9815 -5.9815 -5.3088 -5.3088 -4.6676 -4.6676 -3.6692 -3.6692 -3.3809 -3.3809 5.6753 5.6753 7.9504 7.9504 8.0050 8.0050 8.0641 8.0641 8.1611 8.1611 8.2308 8.2308 8.7450 8.7450 9.7765 9.7765 9.8572 9.8572 12.2128 12.2128 14.6140 14.6140 14.7047 14.7047 15.7774 15.7774 17.8760 17.8760 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -48.7516 -48.7516 -24.6464 -24.6464 -22.2624 -22.2624 -22.1533 -22.1533 -22.0159 -22.0159 -6.8921 -6.8921 -5.9815 -5.9815 -5.3073 -5.3073 -4.6674 -4.6674 -3.6692 -3.6692 -3.3804 -3.3804 5.6713 5.6713 7.9513 7.9513 8.0049 8.0049 8.0615 8.0615 8.1595 8.1595 8.2294 8.2294 8.7441 8.7441 9.7762 9.7762 9.8570 9.8570 12.2132 12.2132 14.6178 14.6178 14.7085 14.7085 15.7774 15.7774 17.8788 17.8788 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -48.7516 -48.7516 -24.6464 -24.6464 -22.2624 -22.2624 -22.1533 -22.1533 -22.0159 -22.0159 -6.8921 -6.8921 -5.9815 -5.9815 -5.3073 -5.3073 -4.6674 -4.6674 -3.6692 -3.6692 -3.3804 -3.3804 5.6713 5.6713 7.9513 7.9513 8.0049 8.0049 8.0615 8.0615 8.1595 8.1595 8.2294 8.2294 8.7441 8.7441 9.7762 9.7762 9.8570 9.8570 12.2132 12.2132 14.6178 14.6178 14.7085 14.7085 15.7774 15.7774 17.8788 17.8788 k = 0.0125 0.5000-0.0000 ( 2560 PWs) bands (ev): -48.7516 -48.7516 -24.6465 -24.6465 -22.2624 -22.2624 -22.1533 -22.1533 -22.0160 -22.0160 -6.8912 -6.8912 -5.9810 -5.9810 -5.3082 -5.3082 -4.6668 -4.6668 -3.6689 -3.6689 -3.3806 -3.3806 5.6712 5.6712 7.9361 7.9361 7.9929 7.9929 8.0622 8.0622 8.1582 8.1582 8.2494 8.2494 8.7497 8.7497 9.7724 9.7724 9.8528 9.8528 12.2182 12.2182 14.6179 14.6179 14.7087 14.7087 15.7828 15.7828 17.8803 17.8803 k = 0.0250 0.5000-0.0000 ( 2552 PWs) bands (ev): -48.7515 -48.7515 -24.6465 -24.6465 -22.2623 -22.2623 -22.1535 -22.1535 -22.0161 -22.0161 -6.8884 -6.8884 -5.9796 -5.9796 -5.3110 -5.3110 -4.6653 -4.6653 -3.6681 -3.6681 -3.3813 -3.3813 5.6711 5.6711 7.8855 7.8855 7.9811 7.9811 8.0603 8.0603 8.1545 8.1545 8.2939 8.2939 8.7666 8.7666 9.7607 9.7607 9.8408 9.8408 12.2333 12.2333 14.6184 14.6184 14.7092 14.7092 15.7989 15.7989 17.8849 17.8849 k = 0.0375 0.5000-0.0000 ( 2536 PWs) bands (ev): -48.7513 -48.7513 -24.6465 -24.6465 -22.2620 -22.2620 -22.1538 -22.1538 -22.0163 -22.0163 -6.8837 -6.8837 -5.9771 -5.9771 -5.3156 -5.3156 -4.6626 -4.6626 -3.6668 -3.6668 -3.3824 -3.3824 5.6709 5.6709 7.8142 7.8142 7.9745 7.9745 8.0545 8.0545 8.1484 8.1484 8.3439 8.3439 8.7955 8.7955 9.7410 9.7410 9.8220 9.8220 12.2581 12.2581 14.6193 14.6193 14.7102 14.7102 15.8251 15.8251 17.8925 17.8925 k = 0.0500 0.5000-0.0000 ( 2536 PWs) bands (ev): -48.7513 -48.7513 -24.6467 -24.6467 -22.2617 -22.2617 -22.1543 -22.1543 -22.0166 -22.0166 -6.8773 -6.8773 -5.9738 -5.9738 -5.3219 -5.3219 -4.6591 -4.6591 -3.6651 -3.6651 -3.3840 -3.3840 5.6706 5.6706 7.7347 7.7347 7.9686 7.9686 8.0451 8.0451 8.1399 8.1399 8.3906 8.3906 8.8364 8.8364 9.7130 9.7130 9.7979 9.7979 12.2921 12.2921 14.6205 14.6205 14.7116 14.7116 15.8606 15.8606 17.9031 17.9031 k = 0.0625 0.5000-0.0000 ( 2544 PWs) bands (ev): -48.7514 -48.7514 -24.6470 -24.6470 -22.2614 -22.2614 -22.1549 -22.1549 -22.0170 -22.0170 -6.8690 -6.8690 -5.9696 -5.9696 -5.3298 -5.3298 -4.6547 -4.6547 -3.6629 -3.6629 -3.3859 -3.3859 5.6702 5.6702 7.6516 7.6516 7.9619 7.9619 8.0317 8.0317 8.1293 8.1293 8.4311 8.4311 8.8885 8.8885 9.6768 9.6768 9.7703 9.7703 12.3347 12.3347 14.6220 14.6220 14.7135 14.7135 15.9044 15.9044 17.9164 17.9164 k = 0.0750 0.5000-0.0000 ( 2540 PWs) bands (ev): -48.7513 -48.7513 -24.6473 -24.6473 -22.2609 -22.2609 -22.1556 -22.1556 -22.0174 -22.0174 -6.8590 -6.8590 -5.9644 -5.9644 -5.3392 -5.3392 -4.6495 -4.6495 -3.6602 -3.6602 -3.3883 -3.3883 5.6698 5.6698 7.5668 7.5668 7.9542 7.9542 8.0137 8.0137 8.1168 8.1168 8.4655 8.4655 8.9502 8.9502 9.6333 9.6333 9.7402 9.7402 12.3854 12.3854 14.6240 14.6240 14.7161 14.7161 15.9552 15.9552 17.9325 17.9325 k = 0.0875 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7512 -48.7512 -24.6476 -24.6476 -22.2604 -22.2604 -22.1565 -22.1565 -22.0180 -22.0180 -6.8474 -6.8474 -5.9584 -5.9584 -5.3500 -5.3500 -4.6436 -4.6436 -3.6570 -3.6570 -3.3910 -3.3910 5.6693 5.6693 7.4815 7.4815 7.9455 7.9455 7.9902 7.9902 8.1028 8.1028 8.4950 8.4950 9.0190 9.0190 9.5842 9.5842 9.7085 9.7085 12.4432 12.4432 14.6264 14.6264 14.7193 14.7193 16.0116 16.0116 17.9513 17.9513 k = 0.1000 0.5000-0.0000 ( 2532 PWs) bands (ev): -48.7511 -48.7511 -24.6479 -24.6479 -22.2598 -22.2598 -22.1574 -22.1574 -22.0186 -22.0186 -6.8341 -6.8341 -5.9516 -5.9516 -5.3620 -5.3620 -4.6372 -4.6372 -3.6534 -3.6534 -3.3941 -3.3941 5.6687 5.6687 7.3962 7.3962 7.9357 7.9357 7.9602 7.9602 8.0877 8.0877 8.5210 8.5210 9.0927 9.0927 9.5314 9.5314 9.6755 9.6755 12.5075 12.5075 14.6292 14.6292 14.7234 14.7234 16.0723 16.0723 17.9727 17.9727 k = 0.1125 0.5000-0.0000 ( 2532 PWs) bands (ev): -48.7511 -48.7511 -24.6483 -24.6483 -22.2592 -22.2592 -22.1585 -22.1585 -22.0193 -22.0193 -6.8192 -6.8192 -5.9440 -5.9440 -5.3750 -5.3750 -4.6303 -4.6303 -3.6495 -3.6495 -3.3974 -3.3974 5.6680 5.6680 7.3115 7.3115 7.9229 7.9229 7.9249 7.9249 8.0718 8.0718 8.5448 8.5448 9.1694 9.1694 9.4768 9.4768 9.6416 9.6416 12.5776 12.5776 14.6324 14.6324 14.7285 14.7285 16.1356 16.1356 17.9964 17.9964 k = 0.1250 0.5000-0.0000 ( 2524 PWs) bands (ev): -48.7510 -48.7510 -24.6488 -24.6488 -22.2584 -22.2584 -22.1597 -22.1597 -22.0201 -22.0201 -6.8029 -6.8029 -5.9356 -5.9356 -5.3890 -5.3890 -4.6230 -4.6230 -3.6452 -3.6452 -3.4010 -3.4010 5.6673 5.6673 7.2277 7.2277 7.8777 7.8777 7.9129 7.9129 8.0552 8.0552 8.5673 8.5673 9.2477 9.2477 9.4223 9.4223 9.6072 9.6072 12.6527 12.6527 14.6358 14.6358 14.7350 14.7350 16.2002 16.2002 18.0225 18.0225 k = 0.1375 0.5000-0.0000 ( 2528 PWs) bands (ev): -48.7510 -48.7510 -24.6493 -24.6493 -22.2577 -22.2577 -22.1609 -22.1609 -22.0210 -22.0210 -6.7853 -6.7853 -5.9266 -5.9266 -5.4038 -5.4038 -4.6154 -4.6154 -3.6405 -3.6405 -3.4047 -3.4047 5.6665 5.6665 7.1450 7.1450 7.8242 7.8242 7.9002 7.9002 8.0379 8.0379 8.5891 8.5891 9.3265 9.3265 9.3696 9.3696 9.5728 9.5728 12.7321 12.7321 14.6395 14.6395 14.7429 14.7429 16.2648 16.2648 18.0507 18.0507 k = 0.1500 0.5000-0.0000 ( 2532 PWs) bands (ev): -48.7510 -48.7510 -24.6498 -24.6498 -22.2569 -22.2569 -22.1623 -22.1623 -22.0219 -22.0219 -6.7663 -6.7663 -5.9170 -5.9170 -5.4193 -5.4193 -4.6077 -4.6077 -3.6356 -3.6356 -3.4086 -3.4086 5.6656 5.6656 7.0638 7.0638 7.7623 7.7623 7.8866 7.8866 8.0199 8.0199 8.6107 8.6107 9.3201 9.3201 9.4048 9.4048 9.5388 9.5388 12.8151 12.8151 14.6432 14.6432 14.7526 14.7526 16.3281 16.3281 18.0808 18.0808 k = 0.1625 0.5000-0.0000 ( 2530 PWs) bands (ev): -48.7509 -48.7509 -24.6504 -24.6504 -22.2561 -22.2561 -22.1637 -22.1637 -22.0228 -22.0228 -6.7461 -6.7461 -5.9068 -5.9068 -5.4352 -5.4352 -4.5997 -4.5997 -3.6304 -3.6304 -3.4126 -3.4126 5.6647 5.6647 6.9843 6.9843 7.6921 7.6921 7.8723 7.8723 8.0011 8.0011 8.6322 8.6322 9.2747 9.2747 9.4800 9.4800 9.5075 9.5075 12.9012 12.9012 14.6470 14.6470 14.7643 14.7643 16.3893 16.3893 18.1127 18.1127 k = 0.1750 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7510 -48.7510 -24.6510 -24.6510 -22.2553 -22.2553 -22.1651 -22.1651 -22.0239 -22.0239 -6.7249 -6.7249 -5.8963 -5.8963 -5.4515 -5.4515 -4.5917 -4.5917 -3.6251 -3.6251 -3.4166 -3.4166 5.6638 5.6638 6.9065 6.9065 7.6141 7.6141 7.8574 7.8574 7.9815 7.9815 8.6539 8.6539 9.2340 9.2340 9.4711 9.4711 9.5597 9.5597 12.9898 12.9898 14.6506 14.6506 14.7782 14.7782 16.4474 16.4474 18.1462 18.1462 k = 0.1875 0.5000-0.0000 ( 2538 PWs) bands (ev): -48.7510 -48.7510 -24.6516 -24.6516 -22.2545 -22.2545 -22.1665 -22.1665 -22.0249 -22.0249 -6.7028 -6.7028 -5.8853 -5.8853 -5.4681 -5.4681 -4.5837 -4.5837 -3.6195 -3.6195 -3.4206 -3.4206 5.6628 5.6628 6.8306 6.8306 7.5290 7.5290 7.8419 7.8419 7.9612 7.9612 8.6758 8.6758 9.1984 9.1984 9.4398 9.4398 9.6334 9.6334 13.0803 13.0803 14.6540 14.6540 14.7945 14.7945 16.5020 16.5020 18.1810 18.1810 k = 0.2000 0.5000-0.0000 ( 2542 PWs) bands (ev): -48.7510 -48.7510 -24.6523 -24.6523 -22.2536 -22.2536 -22.1680 -22.1680 -22.0261 -22.0261 -6.6797 -6.6797 -5.8741 -5.8741 -5.4849 -5.4849 -4.5756 -4.5756 -3.6138 -3.6138 -3.4244 -3.4244 5.6617 5.6617 6.7568 6.7568 7.4378 7.4378 7.8260 7.8260 7.9402 7.9402 8.6980 8.6980 9.1677 9.1677 9.4096 9.4096 9.7051 9.7051 13.1723 13.1723 14.6572 14.6572 14.8133 14.8133 16.5526 16.5526 18.2170 18.2170 k = 0.2125 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7508 -48.7508 -24.6529 -24.6529 -22.2528 -22.2528 -22.1694 -22.1694 -22.0272 -22.0272 -6.6560 -6.6560 -5.8628 -5.8628 -5.5016 -5.5016 -4.5676 -4.5676 -3.6081 -3.6081 -3.4282 -3.4282 5.6606 5.6606 6.6852 6.6852 7.3413 7.3413 7.8097 7.8097 7.9185 7.9185 8.7203 8.7203 9.1419 9.1419 9.3807 9.3807 9.7743 9.7743 13.2651 13.2651 14.6602 14.6602 14.8346 14.8346 16.5991 16.5991 18.2540 18.2540 k = 0.2250 0.5000-0.0000 ( 2538 PWs) bands (ev): -48.7508 -48.7508 -24.6536 -24.6536 -22.2520 -22.2520 -22.1709 -22.1709 -22.0284 -22.0284 -6.6317 -6.6317 -5.8515 -5.8515 -5.5183 -5.5183 -4.5596 -4.5596 -3.6024 -3.6024 -3.4317 -3.4317 5.6594 5.6594 6.6159 6.6159 7.2409 7.2409 7.7932 7.7932 7.8964 7.8964 8.7427 8.7427 9.1204 9.1204 9.3533 9.3533 9.8408 9.8408 13.3584 13.3584 14.6629 14.6629 14.8584 14.8584 16.6413 16.6413 18.2916 18.2916 k = 0.2375 0.5000-0.0000 ( 2546 PWs) bands (ev): -48.7509 -48.7509 -24.6543 -24.6543 -22.2512 -22.2512 -22.1723 -22.1723 -22.0296 -22.0296 -6.6069 -6.6069 -5.8402 -5.8402 -5.5348 -5.5348 -4.5516 -4.5516 -3.5967 -3.5967 -3.4350 -3.4350 5.6582 5.6582 6.5491 6.5491 7.1375 7.1375 7.7766 7.7766 7.8739 7.8739 8.7652 8.7652 9.1029 9.1029 9.3276 9.3276 9.9043 9.9043 13.4517 13.4517 14.6655 14.6655 14.8847 14.8847 16.6793 16.6793 18.3297 18.3297 k = 0.2500 0.5000-0.0000 ( 2546 PWs) bands (ev): -48.7508 -48.7508 -24.6550 -24.6550 -22.2504 -22.2504 -22.1736 -22.1736 -22.0309 -22.0309 -6.5817 -6.5817 -5.8293 -5.8293 -5.5509 -5.5509 -4.5438 -4.5438 -3.5911 -3.5911 -3.4379 -3.4379 5.6569 5.6569 6.4847 6.4847 7.0323 7.0323 7.7599 7.7599 7.8511 7.8511 8.7876 8.7876 9.0889 9.0889 9.3035 9.3035 9.9646 9.9646 13.5445 13.5445 14.6678 14.6678 14.9132 14.9132 16.7133 16.7133 18.3680 18.3680 k = 0.2625 0.5000-0.0000 ( 2542 PWs) bands (ev): -48.7507 -48.7507 -24.6557 -24.6557 -22.2497 -22.2497 -22.1748 -22.1748 -22.0321 -22.0321 -6.5564 -6.5564 -5.8187 -5.8187 -5.5667 -5.5667 -4.5360 -4.5360 -3.5856 -3.5856 -3.4405 -3.4405 5.6555 5.6555 6.4229 6.4229 6.9265 6.9265 7.7433 7.7433 7.8282 7.8282 8.8099 8.8099 9.0779 9.0779 9.2810 9.2810 10.0218 10.0218 13.6364 13.6364 14.6700 14.6700 14.9438 14.9438 16.7435 16.7435 18.4063 18.4063 k = 0.2750 0.5000-0.0000 ( 2542 PWs) bands (ev): -48.7507 -48.7507 -24.6563 -24.6563 -22.2491 -22.2491 -22.1760 -22.1760 -22.0334 -22.0334 -6.5309 -6.5309 -5.8086 -5.8086 -5.5819 -5.5819 -4.5283 -4.5283 -3.5803 -3.5803 -3.4427 -3.4427 5.6539 5.6539 6.3638 6.3638 6.8208 6.8208 7.7269 7.7269 7.8053 7.8053 8.8319 8.8319 9.0695 9.0695 9.2602 9.2602 10.0756 10.0756 13.7269 13.7269 14.6721 14.6721 14.9763 14.9763 16.7701 16.7701 18.4443 18.4443 k = 0.2875 0.5000-0.0000 ( 2546 PWs) bands (ev): -48.7507 -48.7507 -24.6570 -24.6570 -22.2485 -22.2485 -22.1771 -22.1771 -22.0347 -22.0347 -6.5055 -6.5055 -5.7993 -5.7993 -5.5965 -5.5965 -4.5207 -4.5207 -3.5752 -3.5752 -3.4445 -3.4445 5.6523 5.6523 6.3075 6.3075 6.7164 6.7164 7.7108 7.7108 7.7827 7.7827 8.8536 8.8536 9.0632 9.0632 9.2410 9.2410 10.1260 10.1260 13.8157 13.8157 14.6741 14.6741 15.0105 15.0105 16.7934 16.7934 18.4819 18.4819 k = 0.3000 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7505 -48.7505 -24.6577 -24.6577 -22.2480 -22.2480 -22.1780 -22.1780 -22.0359 -22.0359 -6.4803 -6.4803 -5.7908 -5.7908 -5.6102 -5.6102 -4.5131 -4.5131 -3.5704 -3.5704 -3.4458 -3.4458 5.6505 5.6505 6.2540 6.2540 6.6140 6.6140 7.6950 7.6950 7.7605 7.7605 8.8748 8.8748 9.0588 9.0588 9.2234 9.2234 10.1730 10.1730 13.9022 13.9022 14.6760 14.6760 15.0461 15.0461 16.8138 16.8138 18.5188 18.5188 k = 0.3125 0.5000-0.0000 ( 2540 PWs) bands (ev): -48.7505 -48.7505 -24.6583 -24.6583 -22.2476 -22.2476 -22.1789 -22.1789 -22.0372 -22.0372 -6.4554 -6.4554 -5.7835 -5.7835 -5.6230 -5.6230 -4.5058 -4.5058 -3.5659 -3.5659 -3.4467 -3.4467 5.6484 5.6484 6.2035 6.2035 6.5146 6.5146 7.6796 7.6796 7.7387 7.7387 8.8954 8.8954 9.0559 9.0559 9.2072 9.2072 10.2167 10.2167 13.9861 13.9861 14.6778 14.6778 15.0826 15.0826 16.8314 16.8314 18.5547 18.5547 k = 0.3250 0.5000-0.0000 ( 2538 PWs) bands (ev): -48.7504 -48.7504 -24.6589 -24.6589 -22.2473 -22.2473 -22.1796 -22.1796 -22.0384 -22.0384 -6.4309 -6.4309 -5.7774 -5.7774 -5.6346 -5.6346 -4.4985 -4.4985 -3.5617 -3.5617 -3.4472 -3.4472 5.6461 5.6461 6.1559 6.1559 6.4187 6.4187 7.6648 7.6648 7.7177 7.7177 8.9152 8.9152 9.0543 9.0543 9.1925 9.1925 10.2569 10.2569 14.0670 14.0670 14.6795 14.6795 15.1197 15.1197 16.8465 16.8465 18.5894 18.5894 k = 0.3375 0.5000-0.0000 ( 2538 PWs) bands (ev): -48.7504 -48.7504 -24.6596 -24.6596 -22.2470 -22.2470 -22.1802 -22.1802 -22.0396 -22.0396 -6.4070 -6.4070 -5.7729 -5.7729 -5.6449 -5.6449 -4.4914 -4.4914 -3.5578 -3.5578 -3.4472 -3.4472 5.6434 5.6434 6.1113 6.1113 6.3273 6.3273 7.6506 7.6506 7.6975 7.6975 8.9343 8.9343 9.0536 9.0536 9.1792 9.1792 10.2939 10.2939 14.1443 14.1443 14.6813 14.6813 15.1571 15.1571 16.8595 16.8595 18.6227 18.6227 k = 0.3500 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7503 -48.7503 -24.6601 -24.6601 -22.2468 -22.2468 -22.1807 -22.1807 -22.0407 -22.0407 -6.3839 -6.3839 -5.7700 -5.7700 -5.6537 -5.6537 -4.4846 -4.4846 -3.5543 -3.5543 -3.4468 -3.4468 5.6403 5.6403 6.0697 6.0697 6.2410 6.2410 7.6370 7.6370 7.6783 7.6783 8.9524 8.9524 9.0536 9.0536 9.1673 9.1673 10.3276 10.3276 14.2177 14.2177 14.6830 14.6830 15.1943 15.1943 16.8705 16.8705 18.6301 18.6301 k = 0.3625 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7502 -48.7502 -24.6607 -24.6607 -22.2467 -22.2467 -22.1811 -22.1811 -22.0418 -22.0418 -6.3617 -6.3617 -5.7688 -5.7688 -5.6608 -5.6608 -4.4780 -4.4780 -3.5511 -3.5511 -3.4462 -3.4462 5.6365 5.6365 6.0313 6.0313 6.1604 6.1604 7.6242 7.6242 7.6602 7.6602 8.9694 8.9694 9.0542 9.0542 9.1566 9.1566 10.3581 10.3581 14.2868 14.2868 14.6848 14.6848 15.2308 15.2308 16.8798 16.8798 18.6086 18.6086 k = 0.3750 0.5000-0.0000 ( 2538 PWs) bands (ev): -48.7503 -48.7503 -24.6612 -24.6612 -22.2467 -22.2467 -22.1814 -22.1814 -22.0429 -22.0429 -6.3405 -6.3405 -5.7695 -5.7695 -5.6662 -5.6662 -4.4717 -4.4717 -3.5482 -3.5482 -3.4452 -3.4452 5.6319 5.6319 5.9961 5.9961 6.0864 6.0864 7.6122 7.6122 7.6434 7.6434 8.9853 8.9853 9.0553 9.0553 9.1471 9.1471 10.3855 10.3855 14.3511 14.3511 14.6867 14.6867 15.2661 15.2661 16.8876 16.8876 18.5886 18.5886 k = 0.3875 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7502 -48.7502 -24.6616 -24.6616 -22.2467 -22.2467 -22.1816 -22.1816 -22.0438 -22.0438 -6.3204 -6.3204 -5.7716 -5.7716 -5.6701 -5.6701 -4.4657 -4.4657 -3.5456 -3.5456 -3.4441 -3.4441 5.6263 5.6263 5.9639 5.9639 6.0196 6.0196 7.6011 7.6011 7.6280 7.6280 8.9999 8.9999 9.0566 9.0566 9.1387 9.1387 10.4100 10.4100 14.4101 14.4101 14.6888 14.6888 15.2999 15.2999 16.8941 16.8941 18.5703 18.5703 k = 0.4000 0.5000-0.0000 ( 2534 PWs) bands (ev): -48.7502 -48.7502 -24.6621 -24.6621 -22.2468 -22.2468 -22.1817 -22.1817 -22.0447 -22.0447 -6.3018 -6.3018 -5.7750 -5.7750 -5.6728 -5.6728 -4.4602 -4.4602 -3.5433 -3.5433 -3.4429 -3.4429 5.6194 5.6194 5.9347 5.9347 5.9610 5.9610 7.5908 7.5908 7.6140 7.6140 9.0131 9.0131 9.0580 9.0580 9.1315 9.1315 10.4316 10.4316 14.4635 14.4635 14.6912 14.6912 15.3316 15.3316 16.8994 16.8994 18.5538 18.5538 k = 0.4125 0.5000-0.0000 ( 2528 PWs) bands (ev): -48.7501 -48.7501 -24.6624 -24.6624 -22.2468 -22.2468 -22.1818 -22.1818 -22.0455 -22.0455 -6.2847 -6.2847 -5.7791 -5.7791 -5.6744 -5.6744 -4.4551 -4.4551 -3.5413 -3.5413 -3.4416 -3.4416 5.6109 5.6109 5.9044 5.9044 5.9150 5.9150 7.5814 7.5814 7.6017 7.6017 9.0249 9.0249 9.0595 9.0595 9.1254 9.1254 10.4503 10.4503 14.5106 14.5106 14.6940 14.6940 15.3608 15.3608 16.9037 16.9037 18.5392 18.5392 k = 0.4250 0.5000-0.0000 ( 2530 PWs) bands (ev): -48.7501 -48.7501 -24.6628 -24.6628 -22.2469 -22.2469 -22.1818 -22.1818 -22.0463 -22.0463 -6.2694 -6.2694 -5.7835 -5.7835 -5.6755 -5.6755 -4.4506 -4.4506 -3.5395 -3.5395 -3.4403 -3.4403 5.6010 5.6010 5.8658 5.8658 5.8895 5.8895 7.5730 7.5730 7.5910 7.5910 9.0352 9.0352 9.0609 9.0609 9.1203 9.1203 10.4664 10.4664 14.5510 14.5510 14.6976 14.6976 15.3870 15.3870 16.9072 16.9072 18.5264 18.5264 k = 0.4375 0.5000-0.0000 ( 2522 PWs) bands (ev): -48.7499 -48.7499 -24.6630 -24.6630 -22.2470 -22.2470 -22.1818 -22.1818 -22.0469 -22.0469 -6.2560 -6.2560 -5.7879 -5.7879 -5.6761 -5.6761 -4.4466 -4.4466 -3.5380 -3.5380 -3.4391 -3.4391 5.5897 5.5897 5.8330 5.8330 5.8703 5.8703 7.5656 7.5656 7.5821 7.5821 9.0438 9.0438 9.0623 9.0623 9.1162 9.1162 10.4798 10.4798 14.5840 14.5840 14.7023 14.7023 15.4100 15.4100 16.9099 16.9099 18.5156 18.5156 k = 0.4500 0.5000-0.0000 ( 2520 PWs) bands (ev): -48.7499 -48.7499 -24.6633 -24.6633 -22.2471 -22.2471 -22.1818 -22.1818 -22.0474 -22.0474 -6.2447 -6.2447 -5.7918 -5.7918 -5.6764 -5.6764 -4.4433 -4.4433 -3.5368 -3.5368 -3.4381 -3.4381 5.5781 5.5781 5.8081 5.8081 5.8549 5.8549 7.5593 7.5593 7.5750 7.5750 9.0507 9.0507 9.0636 9.0636 9.1130 9.1130 10.4907 10.4907 14.6093 14.6093 14.7082 14.7082 15.4292 15.4292 16.9120 16.9120 18.5067 18.5067 k = 0.4625 0.5000-0.0000 ( 2520 PWs) bands (ev): -48.7499 -48.7499 -24.6635 -24.6635 -22.2472 -22.2472 -22.1818 -22.1818 -22.0478 -22.0478 -6.2357 -6.2357 -5.7952 -5.7952 -5.6766 -5.6766 -4.4407 -4.4407 -3.5359 -3.5359 -3.4373 -3.4373 5.5671 5.5671 5.7903 5.7903 5.8428 5.8428 7.5543 7.5543 7.5695 7.5695 9.0558 9.0558 9.0648 9.0648 9.1107 9.1107 10.4991 10.4991 14.6269 14.6269 14.7151 14.7151 15.4445 15.4445 16.9135 16.9135 18.4998 18.4998 k = 0.4750 0.5000-0.0000 ( 2520 PWs) bands (ev): -48.7498 -48.7498 -24.6636 -24.6636 -22.2473 -22.2473 -22.1817 -22.1817 -22.0481 -22.0481 -6.2291 -6.2291 -5.7978 -5.7978 -5.6767 -5.6767 -4.4387 -4.4387 -3.5352 -3.5352 -3.4366 -3.4366 5.5582 5.5582 5.7786 5.7786 5.8343 5.8343 7.5505 7.5505 7.5656 7.5656 9.0591 9.0591 9.0660 9.0660 9.1092 9.1092 10.5051 10.5051 14.6378 14.6378 14.7217 14.7217 15.4557 15.4557 16.9146 16.9146 18.4949 18.4949 k = 0.4875 0.5000-0.0000 ( 2520 PWs) bands (ev): -48.7498 -48.7498 -24.6637 -24.6637 -22.2473 -22.2473 -22.1817 -22.1817 -22.0483 -22.0483 -6.2252 -6.2252 -5.7994 -5.7994 -5.6768 -5.6768 -4.4376 -4.4376 -3.5348 -3.5348 -3.4362 -3.4362 5.5523 5.5523 5.7720 5.7720 5.8291 5.8291 7.5483 7.5483 7.5633 7.5633 9.0608 9.0608 9.0669 9.0669 9.1083 9.1083 10.5086 10.5086 14.6436 14.6436 14.7265 14.7265 15.4624 15.4624 16.9152 16.9152 18.4919 18.4919 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): -48.7501 -48.7501 -24.6638 -24.6638 -22.2474 -22.2474 -22.1818 -22.1818 -22.0484 -22.0484 -6.2238 -6.2238 -5.7999 -5.7999 -5.6768 -5.6768 -4.4372 -4.4372 -3.5347 -3.5347 -3.4361 -3.4361 5.5503 5.5503 5.7699 5.7699 5.8274 5.8274 7.5475 7.5475 7.5625 7.5625 9.0613 9.0613 9.0673 9.0673 9.1081 9.1081 10.5098 10.5098 14.6454 14.6454 14.7283 14.7283 15.4646 15.4646 16.9154 16.9154 18.4909 18.4909 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): -48.7501 -48.7501 -24.6638 -24.6638 -22.2474 -22.2474 -22.1818 -22.1818 -22.0484 -22.0484 -6.2238 -6.2238 -5.7999 -5.7999 -5.6768 -5.6768 -4.4372 -4.4372 -3.5347 -3.5347 -3.4361 -3.4361 5.5503 5.5503 5.7699 5.7699 5.8274 5.8274 7.5475 7.5475 7.5625 7.5625 9.0613 9.0613 9.0673 9.0673 9.1081 9.1081 10.5098 10.5098 14.6454 14.6454 14.7283 14.7283 15.4646 15.4646 16.9154 16.9154 18.4909 18.4909 k = 0.4911 0.4911-0.0000 ( 2520 PWs) bands (ev): -48.7498 -48.7498 -24.6637 -24.6637 -22.2473 -22.2473 -22.1817 -22.1817 -22.0483 -22.0483 -6.2252 -6.2252 -5.7993 -5.7993 -5.6768 -5.6768 -4.4376 -4.4376 -3.5348 -3.5348 -3.4362 -3.4362 5.5524 5.5524 5.7720 5.7720 5.8291 5.8291 7.5483 7.5483 7.5633 7.5633 9.0608 9.0608 9.0670 9.0670 9.1083 9.1083 10.5086 10.5086 14.6436 14.6436 14.7265 14.7265 15.4623 15.4623 16.9152 16.9152 18.4919 18.4919 k = 0.4821 0.4821-0.0000 ( 2520 PWs) bands (ev): -48.7498 -48.7498 -24.6636 -24.6636 -22.2473 -22.2473 -22.1817 -22.1817 -22.0481 -22.0481 -6.2292 -6.2292 -5.7978 -5.7978 -5.6767 -5.6767 -4.4388 -4.4388 -3.5352 -3.5352 -3.4366 -3.4366 5.5586 5.5586 5.7785 5.7785 5.8344 5.8344 7.5506 7.5506 7.5657 7.5657 9.0586 9.0586 9.0664 9.0664 9.1092 9.1092 10.5050 10.5050 14.6382 14.6382 14.7210 14.7210 15.4554 15.4554 16.9146 16.9146 18.4949 18.4949 k = 0.4732 0.4732-0.0000 ( 2520 PWs) bands (ev): -48.7499 -48.7499 -24.6635 -24.6635 -22.2472 -22.2472 -22.1818 -22.1818 -22.0478 -22.0478 -6.2358 -6.2358 -5.7953 -5.7953 -5.6766 -5.6766 -4.4407 -4.4407 -3.5359 -3.5359 -3.4373 -3.4373 5.5691 5.5691 5.7890 5.7890 5.8434 5.8434 7.5544 7.5544 7.5697 7.5697 9.0541 9.0541 9.0664 9.0664 9.1108 9.1108 10.4990 10.4990 14.6292 14.6292 14.7120 14.7120 15.4439 15.4439 16.9135 16.9135 18.4997 18.4997 k = 0.4643 0.4643-0.0000 ( 2520 PWs) bands (ev): -48.7499 -48.7499 -24.6633 -24.6633 -22.2471 -22.2471 -22.1818 -22.1818 -22.0474 -22.0474 -6.2446 -6.2446 -5.7922 -5.7922 -5.6764 -5.6764 -4.4435 -4.4435 -3.5369 -3.5369 -3.4382 -3.4382 5.5836 5.5836 5.8033 5.8033 5.8563 5.8563 7.5594 7.5594 7.5754 7.5754 9.0472 9.0472 9.0669 9.0669 9.1132 9.1132 10.4907 10.4907 14.6165 14.6165 14.6995 14.6995 15.4279 15.4279 16.9119 16.9119 18.5061 18.5061 k = 0.4554 0.4554-0.0000 ( 2522 PWs) bands (ev): -48.7499 -48.7499 -24.6630 -24.6630 -22.2469 -22.2469 -22.1819 -22.1819 -22.0469 -22.0469 -6.2555 -6.2555 -5.7887 -5.7887 -5.6762 -5.6762 -4.4469 -4.4469 -3.5381 -3.5381 -3.4393 -3.4393 5.6022 5.6022 5.8210 5.8210 5.8734 5.8734 7.5657 7.5657 7.5830 7.5830 9.0382 9.0382 9.0678 9.0678 9.1164 9.1164 10.4800 10.4800 14.6002 14.6002 14.6836 14.6836 15.4073 15.4073 16.9098 16.9098 18.5136 18.5136 k = 0.4464 0.4464-0.0000 ( 2522 PWs) bands (ev): -48.7499 -48.7499 -24.6627 -24.6627 -22.2468 -22.2468 -22.1819 -22.1819 -22.0463 -22.0463 -6.2682 -6.2682 -5.7852 -5.7852 -5.6758 -5.6758 -4.4511 -4.4511 -3.5397 -3.5397 -3.4407 -3.4407 5.6249 5.6249 5.8417 5.8417 5.8952 5.8952 7.5730 7.5730 7.5926 7.5926 9.0273 9.0273 9.0690 9.0690 9.1205 9.1205 10.4671 10.4671 14.5802 14.5802 14.6644 14.6644 15.3822 15.3822 16.9071 16.9071 18.5217 18.5217 k = 0.4375 0.4375-0.0000 ( 2534 PWs) bands (ev): -48.7501 -48.7501 -24.6624 -24.6624 -22.2466 -22.2466 -22.1820 -22.1820 -22.0456 -22.0456 -6.2822 -6.2822 -5.7820 -5.7820 -5.6754 -5.6754 -4.4559 -4.4559 -3.5415 -3.5415 -3.4422 -3.4422 5.6515 5.6515 5.8647 5.8647 5.9222 5.9222 7.5813 7.5813 7.6042 7.6042 9.0147 9.0147 9.0705 9.0705 9.1256 9.1256 10.4520 10.4520 14.5565 14.5565 14.6419 14.6419 15.3528 15.3528 16.9036 16.9036 18.5295 18.5295 k = 0.4286 0.4286-0.0000 ( 2534 PWs) bands (ev): -48.7502 -48.7502 -24.6620 -24.6620 -22.2463 -22.2463 -22.1820 -22.1820 -22.0448 -22.0448 -6.2974 -6.2974 -5.7792 -5.7792 -5.6749 -5.6749 -4.4614 -4.4614 -3.5437 -3.5437 -3.4438 -3.4438 5.6821 5.6821 5.8899 5.8899 5.9544 5.9544 7.5905 7.5905 7.6178 7.6178 9.0007 9.0007 9.0722 9.0722 9.1315 9.1315 10.4349 10.4349 14.5291 14.5291 14.6164 14.6164 15.3192 15.3192 16.8994 16.8994 18.5357 18.5357 k = 0.4196 0.4196-0.0000 ( 2538 PWs) bands (ev): -48.7502 -48.7502 -24.6616 -24.6616 -22.2460 -22.2460 -22.1820 -22.1820 -22.0439 -22.0439 -6.3135 -6.3135 -5.7771 -5.7771 -5.6745 -5.6745 -4.4675 -4.4675 -3.5461 -3.5461 -3.4456 -3.4456 5.7165 5.7165 5.9171 5.9171 5.9919 5.9919 7.6006 7.6006 7.6334 7.6334 8.9856 8.9856 9.0741 9.0741 9.1384 9.1384 10.4158 10.4158 14.4980 14.4980 14.5880 14.5880 15.2813 15.2813 16.8943 16.8943 18.5385 18.5385 k = 0.4107 0.4107-0.0000 ( 2542 PWs) bands (ev): -48.7503 -48.7503 -24.6611 -24.6611 -22.2457 -22.2457 -22.1820 -22.1820 -22.0430 -22.0430 -6.3302 -6.3302 -5.7759 -5.7759 -5.6742 -5.6742 -4.4741 -4.4741 -3.5488 -3.5488 -3.4475 -3.4475 5.7546 5.7546 5.9464 5.9464 6.0344 6.0344 7.6115 7.6115 7.6510 7.6510 8.9695 8.9695 9.0764 9.0764 9.1463 9.1463 10.3948 10.3948 14.4633 14.4633 14.5568 14.5568 15.2395 15.2395 16.8882 16.8882 18.5356 18.5356 k = 0.4018 0.4018-0.0000 ( 2536 PWs) bands (ev): -48.7503 -48.7503 -24.6605 -24.6605 -22.2453 -22.2453 -22.1820 -22.1820 -22.0421 -22.0421 -6.3473 -6.3473 -5.7755 -5.7755 -5.6741 -5.6741 -4.4812 -4.4812 -3.5517 -3.5517 -3.4494 -3.4494 5.7964 5.7964 5.9779 5.9779 6.0816 6.0816 7.6233 7.6233 7.6705 7.6705 8.9530 8.9530 9.0789 9.0789 9.1550 9.1550 10.3720 10.3720 14.4249 14.4249 14.5228 14.5228 15.1938 15.1938 16.8810 16.8810 18.5252 18.5252 k = 0.3929 0.3929-0.0000 ( 2536 PWs) bands (ev): -48.7503 -48.7503 -24.6599 -24.6599 -22.2448 -22.2448 -22.1819 -22.1819 -22.0411 -22.0411 -6.3646 -6.3646 -5.7759 -5.7759 -5.6745 -5.6745 -4.4888 -4.4888 -3.5550 -3.5550 -3.4514 -3.4514 5.8417 5.8417 6.0118 6.0118 6.1334 6.1334 7.6359 7.6359 7.6918 7.6918 8.9361 8.9361 9.0817 9.0817 9.1648 9.1648 10.3476 10.3476 14.3831 14.3831 14.4862 14.4862 15.1444 15.1444 16.8726 16.8726 18.5062 18.5062 k = 0.3839 0.3839-0.0000 ( 2544 PWs) bands (ev): -48.7505 -48.7505 -24.6593 -24.6593 -22.2443 -22.2443 -22.1818 -22.1818 -22.0402 -22.0402 -6.3820 -6.3820 -5.7773 -5.7773 -5.6754 -5.6754 -4.4968 -4.4968 -3.5586 -3.5586 -3.4534 -3.4534 5.8903 5.8903 6.0481 6.0481 6.1894 6.1894 7.6492 7.6492 7.7150 7.7150 8.9193 8.9193 9.0849 9.0849 9.1755 9.1755 10.3217 10.3217 14.3380 14.3380 14.4470 14.4470 15.0916 15.0916 16.8630 16.8630 18.4793 18.4793 k = 0.3750 0.3750-0.0000 ( 2540 PWs) bands (ev): -48.7505 -48.7505 -24.6585 -24.6585 -22.2437 -22.2437 -22.1817 -22.1817 -22.0392 -22.0392 -6.3993 -6.3993 -5.7795 -5.7795 -5.6771 -5.6771 -4.5051 -4.5051 -3.5624 -3.5624 -3.4555 -3.4555 5.9422 5.9422 6.0868 6.0868 6.2495 6.2495 7.6633 7.6633 7.7400 7.7400 8.9028 8.9028 9.0884 9.0884 9.1871 9.1871 10.2944 10.2944 14.2896 14.2896 14.4054 14.4054 15.0354 15.0354 16.8521 16.8521 18.4456 18.4456 k = 0.3661 0.3661-0.0000 ( 2552 PWs) bands (ev): -48.7507 -48.7507 -24.6578 -24.6578 -22.2431 -22.2431 -22.1815 -22.1815 -22.0383 -22.0383 -6.4164 -6.4164 -5.7824 -5.7824 -5.6796 -5.6796 -4.5137 -4.5137 -3.5664 -3.5664 -3.4576 -3.4576 5.9971 5.9971 6.1281 6.1281 6.3135 6.3135 7.6780 7.6780 7.7668 7.7668 8.8870 8.8870 9.0923 9.0923 9.1997 9.1997 10.2659 10.2659 14.2383 14.2383 14.3613 14.3613 14.9762 14.9762 16.8398 16.8398 18.4064 18.4064 k = 0.3571 0.3571-0.0000 ( 2550 PWs) bands (ev): -48.7507 -48.7507 -24.6571 -24.6571 -22.2424 -22.2424 -22.1812 -22.1812 -22.0374 -22.0374 -6.4332 -6.4332 -5.7859 -5.7859 -5.6830 -5.6830 -4.5226 -4.5226 -3.5707 -3.5707 -3.4597 -3.4597 6.0549 6.0549 6.1719 6.1719 6.3811 6.3811 7.6932 7.6932 7.7954 7.7954 8.8721 8.8721 9.0966 9.0966 9.2133 9.2133 10.2364 10.2364 14.1841 14.1841 14.3148 14.3148 14.9140 14.9140 16.8261 16.8261 18.3626 18.3626 k = 0.3482 0.3482-0.0000 ( 2552 PWs) bands (ev): -48.7508 -48.7508 -24.6563 -24.6563 -22.2416 -22.2416 -22.1810 -22.1810 -22.0365 -22.0365 -6.4495 -6.4495 -5.7902 -5.7902 -5.6875 -5.6875 -4.5317 -4.5317 -3.5752 -3.5752 -3.4619 -3.4619 6.1152 6.1152 6.2183 6.2183 6.4521 6.4521 7.7090 7.7090 7.8257 7.8257 8.8585 8.8585 9.1014 9.1014 9.2279 9.2279 10.2059 10.2059 14.1273 14.1273 14.2660 14.2660 14.8492 14.8492 16.8109 16.8109 18.3150 18.3150 k = 0.3393 0.3393-0.0000 ( 2546 PWs) bands (ev): -48.7508 -48.7508 -24.6554 -24.6554 -22.2408 -22.2408 -22.1806 -22.1806 -22.0357 -22.0357 -6.4653 -6.4653 -5.7949 -5.7949 -5.6931 -5.6931 -4.5410 -4.5410 -3.5799 -3.5799 -3.4643 -3.4643 6.1777 6.1777 6.2674 6.2674 6.5264 6.5264 7.7252 7.7252 7.8577 7.8577 8.8465 8.8465 9.1067 9.1067 9.2434 9.2434 10.1747 10.1747 14.0681 14.0681 14.2150 14.2150 14.7820 14.7820 16.7943 16.7943 18.2641 18.2641 k = 0.3304 0.3304-0.0000 ( 2550 PWs) bands (ev): -48.7509 -48.7509 -24.6545 -24.6545 -22.2398 -22.2398 -22.1802 -22.1802 -22.0350 -22.0350 -6.4806 -6.4806 -5.8002 -5.8002 -5.6998 -5.6998 -4.5504 -4.5504 -3.5848 -3.5848 -3.4668 -3.4668 6.2419 6.2419 6.3195 6.3195 6.6038 6.6038 7.7418 7.7418 7.8914 7.8914 8.8364 8.8364 9.1125 9.1125 9.2600 9.2600 10.1429 10.1429 14.0067 14.0067 14.1617 14.1617 14.7124 14.7124 16.7762 16.7762 18.2101 18.2101 k = 0.3214 0.3214-0.0000 ( 2554 PWs) bands (ev): -48.7510 -48.7510 -24.6536 -24.6536 -22.2388 -22.2388 -22.1797 -22.1797 -22.0344 -22.0344 -6.4952 -6.4952 -5.8059 -5.8059 -5.7075 -5.7075 -4.5600 -4.5600 -3.5898 -3.5898 -3.4695 -3.4695 6.3071 6.3071 6.3750 6.3750 6.6841 6.6841 7.7587 7.7587 7.9267 7.9267 8.8283 8.8283 9.1189 9.1189 9.2775 9.2775 10.1106 10.1106 13.9432 13.9432 14.1064 14.1064 14.6409 14.6409 16.7566 16.7566 18.1534 18.1534 k = 0.3125 0.3125-0.0000 ( 2550 PWs) bands (ev): -48.7510 -48.7510 -24.6527 -24.6527 -22.2376 -22.2376 -22.1792 -22.1792 -22.0339 -22.0339 -6.5091 -6.5091 -5.8121 -5.8121 -5.7163 -5.7163 -4.5696 -4.5696 -3.5948 -3.5948 -3.4724 -3.4724 6.3724 6.3724 6.4346 6.4346 6.7671 6.7671 7.7758 7.7758 7.9636 7.9636 8.8227 8.8227 9.1259 9.1259 9.2961 9.2961 10.0781 10.0781 13.8780 13.8780 14.0490 14.0490 14.5674 14.5674 16.7355 16.7355 18.0941 18.0941 k = 0.3036 0.3036-0.0000 ( 2542 PWs) bands (ev): -48.7510 -48.7510 -24.6516 -24.6516 -22.2364 -22.2364 -22.1786 -22.1786 -22.0334 -22.0334 -6.5223 -6.5223 -5.8186 -5.8186 -5.7261 -5.7261 -4.5793 -4.5793 -3.6000 -3.6000 -3.4756 -3.4756 6.4370 6.4370 6.4987 6.4987 6.8526 6.8526 7.7931 7.7931 8.0021 8.0021 8.8197 8.8197 9.1336 9.1336 9.3156 9.3156 10.0454 10.0454 13.8113 13.8113 13.9896 13.9896 14.4922 14.4922 16.7130 16.7130 18.0324 18.0324 k = 0.2946 0.2946-0.0000 ( 2550 PWs) bands (ev): -48.7512 -48.7512 -24.6507 -24.6507 -22.2351 -22.2351 -22.1780 -22.1780 -22.0331 -22.0331 -6.5348 -6.5348 -5.8254 -5.8254 -5.7368 -5.7368 -4.5891 -4.5891 -3.6052 -3.6052 -3.4791 -3.4791 6.5005 6.5005 6.5673 6.5673 6.9403 6.9403 7.8105 7.8105 8.0421 8.0421 8.8195 8.8195 9.1420 9.1420 9.3361 9.3361 10.0128 10.0128 13.7431 13.7431 13.9284 13.9284 14.4155 14.4155 16.6891 16.6891 17.9685 17.9685 k = 0.2857 0.2857-0.0000 ( 2552 PWs) bands (ev): -48.7513 -48.7513 -24.6497 -24.6497 -22.2336 -22.2336 -22.1773 -22.1773 -22.0330 -22.0330 -6.5465 -6.5465 -5.8326 -5.8326 -5.7483 -5.7483 -4.5989 -4.5989 -3.6104 -3.6104 -3.4830 -3.4830 6.5633 6.5633 6.6396 6.6396 7.0302 7.0302 7.8279 7.8279 8.0836 8.0836 8.8224 8.8224 9.1512 9.1512 9.3575 9.3575 9.9805 9.9805 13.6738 13.6738 13.8655 13.8655 14.3374 14.3374 16.6638 16.6638 17.9025 17.9025 k = 0.2768 0.2768-0.0000 ( 2542 PWs) bands (ev): -48.7512 -48.7512 -24.6486 -24.6486 -22.2320 -22.2320 -22.1766 -22.1766 -22.0329 -22.0329 -6.5575 -6.5575 -5.8400 -5.8400 -5.7605 -5.7605 -4.6088 -4.6088 -3.6156 -3.6156 -3.4873 -3.4873 6.6260 6.6260 6.7148 6.7148 7.1219 7.1219 7.8452 7.8452 8.1265 8.1265 8.8285 8.8285 9.1612 9.1612 9.3799 9.3799 9.9485 9.9485 13.6036 13.6036 13.8009 13.8009 14.2581 14.2581 16.6371 16.6371 17.8346 17.8346 k = 0.2679 0.2679-0.0000 ( 2540 PWs) bands (ev): -48.7512 -48.7512 -24.6476 -24.6476 -22.2304 -22.2304 -22.1759 -22.1759 -22.0330 -22.0330 -6.5676 -6.5676 -5.8476 -5.8476 -5.7734 -5.7734 -4.6186 -4.6186 -3.6207 -3.6207 -3.4920 -3.4920 6.6890 6.6890 6.7920 6.7920 7.2153 7.2153 7.8625 7.8625 8.1707 8.1707 8.8380 8.8380 9.1722 9.1722 9.4032 9.4032 9.9171 9.9171 13.5326 13.5326 13.7348 13.7348 14.1777 14.1777 16.6092 16.6092 17.7650 17.7650 k = 0.2589 0.2589-0.0000 ( 2532 PWs) bands (ev): -48.7512 -48.7512 -24.6465 -24.6465 -22.2286 -22.2286 -22.1751 -22.1751 -22.0332 -22.0332 -6.5770 -6.5770 -5.8555 -5.8555 -5.7867 -5.7867 -4.6285 -4.6285 -3.6258 -3.6258 -3.4972 -3.4972 6.7524 6.7524 6.8705 6.8705 7.3100 7.3100 7.8797 7.8797 8.2163 8.2163 8.8511 8.8511 9.1841 9.1841 9.4274 9.4274 9.8864 9.8864 13.4610 13.4610 13.6673 13.6673 14.0963 14.0963 16.5800 16.5800 17.6939 17.6939 k = 0.2500 0.2500-0.0000 ( 2524 PWs) bands (ev): -48.7512 -48.7512 -24.6454 -24.6454 -22.2266 -22.2266 -22.1743 -22.1743 -22.0335 -22.0335 -6.5857 -6.5857 -5.8635 -5.8635 -5.8004 -5.8004 -4.6384 -4.6384 -3.6308 -3.6308 -3.5029 -3.5029 6.8164 6.8164 6.9497 6.9497 7.4060 7.4060 7.8967 7.8967 8.2632 8.2632 8.8678 8.8678 9.1971 9.1971 9.4524 9.4524 9.8566 9.8566 13.3891 13.3891 13.5985 13.5985 14.0140 14.0140 16.5497 16.5497 17.6213 17.6213 k = 0.2411 0.2411-0.0000 ( 2528 PWs) bands (ev): -48.7513 -48.7513 -24.6444 -24.6444 -22.2246 -22.2246 -22.1734 -22.1734 -22.0341 -22.0341 -6.5936 -6.5936 -5.8717 -5.8717 -5.8143 -5.8143 -4.6483 -4.6483 -3.6358 -3.6358 -3.5091 -3.5091 6.8808 6.8808 7.0293 7.0293 7.5030 7.5030 7.9135 7.9135 8.3112 8.3112 8.8882 8.8882 9.2113 9.2113 9.4782 9.4782 9.8278 9.8278 13.3170 13.3170 13.5285 13.5285 13.9309 13.9309 16.5182 16.5182 17.5477 17.5477 k = 0.2321 0.2321-0.0000 ( 2536 PWs) bands (ev): -48.7515 -48.7515 -24.6434 -24.6434 -22.2225 -22.2225 -22.1726 -22.1726 -22.0348 -22.0348 -6.6009 -6.6009 -5.8799 -5.8799 -5.8284 -5.8284 -4.6583 -4.6583 -3.6406 -3.6406 -3.5159 -3.5159 6.9456 6.9456 7.1088 7.1088 7.6007 7.6007 7.9300 7.9300 8.3603 8.3603 8.9124 8.9124 9.2267 9.2267 9.5048 9.5048 9.8003 9.8003 13.2449 13.2449 13.4575 13.4575 13.8472 13.8472 16.4858 16.4858 17.4730 17.4730 k = 0.2232 0.2232-0.0000 ( 2532 PWs) bands (ev): -48.7515 -48.7515 -24.6423 -24.6423 -22.2202 -22.2202 -22.1717 -22.1717 -22.0356 -22.0356 -6.6075 -6.6075 -5.8883 -5.8883 -5.8423 -5.8423 -4.6682 -4.6682 -3.6453 -3.6453 -3.5231 -3.5231 7.0106 7.0106 7.1877 7.1877 7.6988 7.6988 7.9464 7.9464 8.4105 8.4105 8.9404 8.9404 9.2434 9.2434 9.5321 9.5321 9.7743 9.7743 13.1731 13.1731 13.3857 13.3857 13.7629 13.7629 16.4524 16.4524 17.3977 17.3977 k = 0.2143 0.2143-0.0000 ( 2536 PWs) bands (ev): -48.7516 -48.7516 -24.6413 -24.6413 -22.2179 -22.2179 -22.1709 -22.1709 -22.0366 -22.0366 -6.6134 -6.6134 -5.8968 -5.8968 -5.8561 -5.8561 -4.6781 -4.6781 -3.6498 -3.6498 -3.5308 -3.5308 7.0756 7.0756 7.2656 7.2656 7.7971 7.7971 7.9625 7.9625 8.4616 8.4616 8.9722 8.9722 9.2615 9.2615 9.5601 9.5601 9.7499 9.7499 13.1016 13.1016 13.3132 13.3132 13.6781 13.6781 16.4183 16.4183 17.3219 17.3219 k = 0.2054 0.2054-0.0000 ( 2542 PWs) bands (ev): -48.7518 -48.7518 -24.6403 -24.6403 -22.2154 -22.2154 -22.1700 -22.1700 -22.0378 -22.0378 -6.6188 -6.6188 -5.9053 -5.9053 -5.8696 -5.8696 -4.6879 -4.6879 -3.6542 -3.6542 -3.5389 -3.5389 7.1404 7.1404 7.3420 7.3420 7.8948 7.8948 7.9789 7.9789 8.5135 8.5135 9.0078 9.0078 9.2809 9.2809 9.5885 9.5885 9.7274 9.7274 13.0307 13.0307 13.2401 13.2401 13.5928 13.5928 16.3834 16.3834 17.2460 17.2460 k = 0.1964 0.1964-0.0000 ( 2550 PWs) bands (ev): -48.7519 -48.7519 -24.6393 -24.6393 -22.2129 -22.2129 -22.1692 -22.1692 -22.0391 -22.0391 -6.6236 -6.6236 -5.9138 -5.9138 -5.8827 -5.8827 -4.6978 -4.6978 -3.6585 -3.6585 -3.5475 -3.5475 7.2048 7.2048 7.4165 7.4165 7.9818 7.9818 8.0055 8.0055 8.5662 8.5662 9.0470 9.0470 9.3017 9.3017 9.6175 9.6175 9.7070 9.7070 12.9605 12.9605 13.1667 13.1667 13.5072 13.5072 16.3479 16.3479 17.1701 17.1701 k = 0.1875 0.1875-0.0000 ( 2548 PWs) bands (ev): -48.7520 -48.7520 -24.6383 -24.6383 -22.2102 -22.2102 -22.1683 -22.1683 -22.0406 -22.0406 -6.6280 -6.6280 -5.9223 -5.9223 -5.8951 -5.8951 -4.7076 -4.7076 -3.6626 -3.6626 -3.5565 -3.5565 7.2686 7.2686 7.4887 7.4887 8.0057 8.0057 8.0943 8.0943 8.6194 8.6194 9.0897 9.0897 9.3236 9.3236 9.6467 9.6467 9.6894 9.6894 12.8913 12.8913 13.0931 13.0931 13.4214 13.4214 16.3119 16.3119 17.0947 17.0947 k = 0.1786 0.1786-0.0000 ( 2536 PWs) bands (ev): -48.7519 -48.7519 -24.6372 -24.6372 -22.2074 -22.2074 -22.1673 -22.1673 -22.0422 -22.0422 -6.6319 -6.6319 -5.9308 -5.9308 -5.9069 -5.9069 -4.7173 -4.7173 -3.6665 -3.6665 -3.5658 -3.5658 7.3314 7.3314 7.5581 7.5581 8.0210 8.0210 8.1907 8.1907 8.6731 8.6731 9.1359 9.1359 9.3464 9.3464 9.6708 9.6708 9.6802 9.6802 12.8231 12.8231 13.0195 13.0195 13.3354 13.3354 16.2756 16.2756 17.0199 17.0199 k = 0.1696 0.1696-0.0000 ( 2544 PWs) bands (ev): -48.7521 -48.7521 -24.6363 -24.6363 -22.2045 -22.2045 -22.1665 -22.1665 -22.0439 -22.0439 -6.6355 -6.6355 -5.9393 -5.9393 -5.9180 -5.9180 -4.7270 -4.7270 -3.6702 -3.6702 -3.5753 -3.5753 7.3930 7.3930 7.6243 7.6243 8.0355 8.0355 8.2865 8.2865 8.7272 8.7272 9.1852 9.1852 9.3697 9.3697 9.6624 9.6624 9.7074 9.7074 12.7561 12.7561 12.9461 12.9461 13.2493 13.2493 16.2391 16.2391 16.9462 16.9462 k = 0.1607 0.1607-0.0000 ( 2544 PWs) bands (ev): -48.7521 -48.7521 -24.6354 -24.6354 -22.2016 -22.2016 -22.1656 -22.1656 -22.0458 -22.0458 -6.6387 -6.6387 -5.9477 -5.9477 -5.9283 -5.9283 -4.7366 -4.7366 -3.6737 -3.6737 -3.5850 -3.5850 7.4531 7.4531 7.6871 7.6871 8.0496 8.0496 8.3813 8.3813 8.7814 8.7814 9.2373 9.2373 9.3924 9.3924 9.6559 9.6559 9.7373 9.7373 12.6906 12.6906 12.8732 12.8732 13.1634 13.1634 16.2025 16.2025 16.8738 16.8738 k = 0.1518 0.1518-0.0000 ( 2538 PWs) bands (ev): -48.7521 -48.7521 -24.6344 -24.6344 -22.1985 -22.1985 -22.1648 -22.1648 -22.0478 -22.0478 -6.6416 -6.6416 -5.9558 -5.9558 -5.9378 -5.9378 -4.7461 -4.7461 -3.6771 -3.6771 -3.5949 -3.5949 7.5115 7.5115 7.7460 7.7460 8.0634 8.0634 8.4746 8.4746 8.8355 8.8355 9.2919 9.2919 9.4134 9.4134 9.6552 9.6552 9.7674 9.7674 12.6267 12.6267 12.8010 12.8010 13.0776 13.0776 16.1661 16.1661 16.8031 16.8031 k = 0.1429 0.1429-0.0000 ( 2534 PWs) bands (ev): -48.7521 -48.7521 -24.6335 -24.6335 -22.1954 -22.1954 -22.1639 -22.1639 -22.0500 -22.0500 -6.6443 -6.6443 -5.9636 -5.9636 -5.9466 -5.9466 -4.7554 -4.7554 -3.6802 -3.6802 -3.6048 -3.6048 7.5676 7.5676 7.8008 7.8008 8.0770 8.0770 8.5661 8.5661 8.8894 8.8894 9.3487 9.3487 9.4315 9.4315 9.6615 9.6615 9.7974 9.7974 12.5645 12.5645 12.7297 12.7297 12.9923 12.9923 16.1299 16.1299 16.7344 16.7344 k = 0.1339 0.1339-0.0000 ( 2538 PWs) bands (ev): -48.7522 -48.7522 -24.6327 -24.6327 -22.1923 -22.1923 -22.1632 -22.1632 -22.0522 -22.0522 -6.6467 -6.6467 -5.9710 -5.9710 -5.9547 -5.9547 -4.7645 -4.7645 -3.6832 -3.6832 -3.6147 -3.6147 7.6213 7.6213 7.8516 7.8516 8.0903 8.0903 8.6556 8.6556 8.9428 8.9428 9.4066 9.4066 9.4457 9.4457 9.6759 9.6759 9.8272 9.8272 12.5042 12.5042 12.6596 12.6596 12.9077 12.9077 16.0941 16.0941 16.6679 16.6679 k = 0.1250 0.1250-0.0000 ( 2534 PWs) bands (ev): -48.7522 -48.7522 -24.6319 -24.6319 -22.1891 -22.1891 -22.1624 -22.1624 -22.0545 -22.0545 -6.6490 -6.6490 -5.9778 -5.9778 -5.9622 -5.9622 -4.7734 -4.7734 -3.6860 -3.6860 -3.6244 -3.6244 7.6721 7.6721 7.8982 7.8982 8.1034 8.1034 8.7425 8.7425 8.9956 8.9956 9.4502 9.4502 9.4709 9.4709 9.6983 9.6983 9.8566 9.8566 12.4460 12.4460 12.5910 12.5910 12.8240 12.8240 16.0590 16.0590 16.6033 16.6033 k = 0.1161 0.1161-0.0000 ( 2538 PWs) bands (ev): -48.7523 -48.7523 -24.6312 -24.6312 -22.1859 -22.1859 -22.1617 -22.1617 -22.0570 -22.0570 -6.6512 -6.6512 -5.9840 -5.9840 -5.9691 -5.9691 -4.7820 -4.7820 -3.6886 -3.6886 -3.6340 -3.6340 7.7196 7.7196 7.9409 7.9409 8.1162 8.1162 8.8268 8.8268 9.0473 9.0473 9.4574 9.4574 9.5293 9.5293 9.7276 9.7276 9.8856 9.8856 12.3901 12.3901 12.5242 12.5242 12.7416 12.7416 16.0247 16.0247 16.5395 16.5395 k = 0.1071 0.1071-0.0000 ( 2530 PWs) bands (ev): -48.7523 -48.7523 -24.6304 -24.6304 -22.1827 -22.1827 -22.1610 -22.1610 -22.0594 -22.0594 -6.6532 -6.6532 -5.9895 -5.9895 -5.9755 -5.9755 -4.7903 -4.7903 -3.6910 -3.6910 -3.6432 -3.6432 7.7635 7.7635 7.9798 7.9798 8.1289 8.1289 8.9078 8.9078 9.0976 9.0976 9.4599 9.4599 9.5897 9.5897 9.7622 9.7622 9.9138 9.9138 12.3367 12.3367 12.4595 12.4595 12.6609 12.6609 15.9915 15.9915 16.4747 16.4747 k = 0.0982 0.0982-0.0000 ( 2528 PWs) bands (ev): -48.7523 -48.7523 -24.6298 -24.6298 -22.1795 -22.1795 -22.1604 -22.1604 -22.0619 -22.0619 -6.6551 -6.6551 -5.9943 -5.9943 -5.9814 -5.9814 -4.7982 -4.7982 -3.6932 -3.6932 -3.6520 -3.6520 7.8033 7.8033 8.0152 8.0152 8.1411 8.1411 8.9853 8.9853 9.1464 9.1464 9.4605 9.4605 9.6497 9.6497 9.8002 9.8002 9.9413 9.9413 12.2859 12.2859 12.3973 12.3973 12.5825 12.5825 15.9594 15.9594 16.3851 16.3851 k = 0.0893 0.0893-0.0000 ( 2528 PWs) bands (ev): -48.7523 -48.7523 -24.6292 -24.6292 -22.1764 -22.1764 -22.1598 -22.1598 -22.0644 -22.0644 -6.6569 -6.6569 -5.9984 -5.9984 -5.9868 -5.9868 -4.8057 -4.8057 -3.6952 -3.6952 -3.6604 -3.6604 7.8390 7.8390 8.0476 8.0476 8.1529 8.1529 9.0586 9.0586 9.1931 9.1931 9.4600 9.4600 9.7085 9.7085 9.8404 9.8404 9.9678 9.9678 12.2380 12.2380 12.3377 12.3377 12.5070 12.5070 15.9289 15.9289 16.2864 16.2864 k = 0.0804 0.0804-0.0000 ( 2532 PWs) bands (ev): -48.7524 -48.7524 -24.6286 -24.6286 -22.1733 -22.1733 -22.1592 -22.1592 -22.0669 -22.0669 -6.6586 -6.6586 -6.0019 -6.0019 -5.9918 -5.9918 -4.8128 -4.8128 -3.6970 -3.6970 -3.6683 -3.6683 7.8702 7.8702 8.0772 8.0772 8.1641 8.1641 9.1274 9.1274 9.2373 9.2373 9.4590 9.4590 9.7651 9.7651 9.8814 9.8814 9.9932 9.9932 12.1931 12.1931 12.2811 12.2811 12.4353 12.4353 15.9000 15.9000 16.1931 16.1931 k = 0.0714 0.0714-0.0000 ( 2532 PWs) bands (ev): -48.7524 -48.7524 -24.6281 -24.6281 -22.1704 -22.1704 -22.1588 -22.1588 -22.0694 -22.0694 -6.6602 -6.6602 -6.0048 -6.0048 -5.9962 -5.9962 -4.8193 -4.8193 -3.6986 -3.6986 -3.6756 -3.6756 7.8970 7.8970 8.1043 8.1043 8.1744 8.1744 9.1911 9.1911 9.2787 9.2787 9.4579 9.4579 9.8184 9.8184 9.9222 9.9222 10.0173 10.0173 12.1514 12.1514 12.2276 12.2276 12.3683 12.3683 15.8732 15.8732 16.1072 16.1072 k = 0.0625 0.0625-0.0000 ( 2534 PWs) bands (ev): -48.7525 -48.7525 -24.6277 -24.6277 -22.1677 -22.1677 -22.1583 -22.1583 -22.0717 -22.0717 -6.6616 -6.6616 -6.0071 -6.0071 -6.0001 -6.0001 -4.8252 -4.8252 -3.7000 -3.7000 -3.6821 -3.6821 7.9196 7.9196 8.1288 8.1288 8.1838 8.1838 9.2490 9.2490 9.3168 9.3168 9.4568 9.4568 9.8675 9.8675 9.9621 9.9621 10.0400 10.0400 12.1133 12.1133 12.1775 12.1775 12.3073 12.3073 15.8486 15.8486 16.0293 16.0293 k = 0.0536 0.0536-0.0000 ( 2530 PWs) bands (ev): -48.7525 -48.7525 -24.6273 -24.6273 -22.1651 -22.1651 -22.1579 -22.1579 -22.0739 -22.0739 -6.6629 -6.6629 -6.0089 -6.0089 -6.0035 -6.0035 -4.8304 -4.8304 -3.7013 -3.7013 -3.6879 -3.6879 7.9382 7.9382 8.1507 8.1507 8.1921 8.1921 9.3006 9.3006 9.3511 9.3511 9.4559 9.4559 9.9110 9.9110 10.0001 10.0001 10.0610 10.0610 12.0791 12.0791 12.1310 12.1310 12.2533 12.2533 15.8265 15.8265 15.9603 15.9603 k = 0.0446 0.0446-0.0000 ( 2530 PWs) bands (ev): -48.7525 -48.7525 -24.6269 -24.6269 -22.1627 -22.1627 -22.1576 -22.1576 -22.0759 -22.0759 -6.6641 -6.6641 -6.0104 -6.0104 -6.0065 -6.0065 -4.8350 -4.8350 -3.7023 -3.7023 -3.6930 -3.6930 7.9531 7.9531 8.1698 8.1698 8.1992 8.1992 9.3453 9.3453 9.3811 9.3811 9.4552 9.4552 9.9481 9.9481 10.0354 10.0354 10.0802 10.0802 12.0491 12.0491 12.0886 12.0886 12.2073 12.2073 15.8071 15.8071 15.9007 15.9007 k = 0.0357 0.0357-0.0000 ( 2522 PWs) bands (ev): -48.7524 -48.7524 -24.6266 -24.6266 -22.1607 -22.1607 -22.1573 -22.1573 -22.0777 -22.0777 -6.6650 -6.6650 -6.0114 -6.0114 -6.0088 -6.0088 -4.8388 -4.8388 -3.7032 -3.7032 -3.6971 -3.6971 7.9648 7.9648 8.1859 8.1859 8.2051 8.2051 9.3824 9.3824 9.4064 9.4064 9.4549 9.4549 9.9781 9.9781 10.0671 10.0671 10.0971 10.0971 12.0236 12.0236 12.0511 12.0511 12.1700 12.1700 15.7909 15.7909 15.8511 15.8511 k = 0.0268 0.0268-0.0000 ( 2522 PWs) bands (ev): -48.7524 -48.7524 -24.6264 -24.6264 -22.1591 -22.1591 -22.1571 -22.1571 -22.0791 -22.0791 -6.6658 -6.6658 -6.0122 -6.0122 -6.0107 -6.0107 -4.8418 -4.8418 -3.7038 -3.7038 -3.7004 -3.7004 7.9735 7.9735 8.1987 8.1987 8.2097 8.2097 9.4114 9.4114 9.4265 9.4265 9.4553 9.4553 10.0009 10.0009 10.0937 10.0937 10.1112 10.1112 12.0033 12.0033 12.0198 12.0198 12.1413 12.1413 15.7780 15.7780 15.8120 15.8120 k = 0.0179 0.0179-0.0000 ( 2517 PWs) bands (ev): -48.7524 -48.7524 -24.6263 -24.6263 -22.1578 -22.1578 -22.1569 -22.1569 -22.0802 -22.0802 -6.6663 -6.6663 -6.0127 -6.0127 -6.0121 -6.0121 -4.8440 -4.8440 -3.7043 -3.7043 -3.7028 -3.7028 7.9796 7.9796 8.2080 8.2080 8.2129 8.2129 9.4318 9.4318 9.4400 9.4400 9.4571 9.4571 10.0168 10.0168 10.1139 10.1139 10.1218 10.1218 11.9884 11.9884 11.9961 11.9961 12.1212 12.1212 15.7685 15.7685 15.7837 15.7837 k = 0.0089 0.0089-0.0000 ( 2517 PWs) bands (ev): -48.7524 -48.7524 -24.6262 -24.6262 -22.1571 -22.1571 -22.1568 -22.1568 -22.0809 -22.0809 -6.6666 -6.6666 -6.0130 -6.0130 -6.0129 -6.0129 -4.8453 -4.8453 -3.7046 -3.7046 -3.7042 -3.7042 7.9831 7.9831 8.2136 8.2136 8.2149 8.2149 9.4436 9.4436 9.4461 9.4461 9.4611 9.4611 10.0262 10.0262 10.1265 10.1265 10.1285 10.1285 11.9793 11.9793 11.9813 11.9813 12.1092 12.1092 15.7628 15.7628 15.7666 15.7666 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -48.7524 -48.7524 -24.6261 -24.6261 -22.1568 -22.1568 -22.1568 -22.1568 -22.0811 -22.0811 -6.6668 -6.6668 -6.0131 -6.0131 -6.0131 -6.0131 -4.8457 -4.8457 -3.7047 -3.7047 -3.7047 -3.7047 7.9843 7.9843 8.2155 8.2155 8.2155 8.2155 9.4474 9.4474 9.4474 9.4474 9.4633 9.4633 10.0292 10.0292 10.1308 10.1308 10.1308 10.1308 11.9762 11.9762 11.9762 11.9762 12.1052 12.1052 15.7609 15.7609 15.7609 15.7609 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -48.7524 -48.7524 -24.6261 -24.6261 -22.1568 -22.1568 -22.1568 -22.1568 -22.0811 -22.0811 -6.6668 -6.6668 -6.0131 -6.0131 -6.0131 -6.0131 -4.8457 -4.8457 -3.7047 -3.7047 -3.7047 -3.7047 7.9843 7.9843 8.2155 8.2155 8.2155 8.2155 9.4474 9.4474 9.4474 9.4474 9.4633 9.4633 10.0292 10.0292 10.1308 10.1308 10.1308 10.1308 11.9762 11.9762 11.9762 11.9762 12.1052 12.1052 15.7609 15.7609 15.7609 15.7609 k = 0.0072 0.0072 0.0072 ( 2517 PWs) bands (ev): -48.7524 -48.7524 -24.6262 -24.6262 -22.1570 -22.1570 -22.1568 -22.1568 -22.0809 -22.0809 -6.6666 -6.6666 -6.0130 -6.0130 -6.0129 -6.0129 -4.8453 -4.8453 -3.7046 -3.7046 -3.7042 -3.7042 7.9831 7.9831 8.2138 8.2138 8.2148 8.2148 9.4435 9.4435 9.4461 9.4461 9.4612 9.4612 10.0262 10.0262 10.1270 10.1270 10.1281 10.1281 11.9799 11.9799 11.9806 11.9806 12.1091 12.1091 15.7646 15.7646 15.7647 15.7647 k = 0.0145 0.0145 0.0145 ( 2517 PWs) bands (ev): -48.7524 -48.7524 -24.6262 -24.6262 -22.1577 -22.1577 -22.1570 -22.1570 -22.0802 -22.0802 -6.6663 -6.6663 -6.0127 -6.0127 -6.0122 -6.0122 -4.8440 -4.8440 -3.7042 -3.7042 -3.7029 -3.7029 7.9797 7.9797 8.2086 8.2086 8.2124 8.2124 9.4319 9.4319 9.4391 9.4391 9.4584 9.4584 10.0171 10.0171 10.1159 10.1159 10.1200 10.1200 11.9906 11.9906 11.9936 11.9936 12.1208 12.1208 15.7758 15.7758 15.7761 15.7761 k = 0.0217 0.0217 0.0217 ( 2523 PWs) bands (ev): -48.7524 -48.7524 -24.6264 -24.6264 -22.1589 -22.1589 -22.1572 -22.1572 -22.0791 -22.0791 -6.6657 -6.6657 -6.0121 -6.0121 -6.0109 -6.0109 -4.8418 -4.8418 -3.7037 -3.7037 -3.7006 -3.7006 7.9738 7.9738 8.2000 8.2000 8.2085 8.2085 9.4129 9.4129 9.4221 9.4221 9.4590 9.4590 10.0019 10.0019 10.0978 10.0978 10.1067 10.1067 12.0083 12.0083 12.0150 12.0150 12.1399 12.1399 15.7944 15.7944 15.7950 15.7950 k = 0.0290 0.0290 0.0290 ( 2523 PWs) bands (ev): -48.7524 -48.7524 -24.6266 -24.6266 -22.1604 -22.1604 -22.1575 -22.1575 -22.0777 -22.0777 -6.6649 -6.6649 -6.0112 -6.0112 -6.0092 -6.0092 -4.8389 -4.8389 -3.7030 -3.7030 -3.6974 -3.6974 7.9654 7.9654 8.1881 8.1881 8.2029 8.2029 9.3867 9.3867 9.3968 9.3968 9.4619 9.4619 9.9805 9.9805 10.0738 10.0738 10.0888 10.0888 12.0323 12.0323 12.0440 12.0440 12.1662 12.1662 15.8202 15.8202 15.8213 15.8213 k = 0.0362 0.0362 0.0362 ( 2529 PWs) bands (ev): -48.7525 -48.7525 -24.6269 -24.6269 -22.1623 -22.1623 -22.1580 -22.1580 -22.0760 -22.0760 -6.6638 -6.6638 -6.0102 -6.0102 -6.0070 -6.0070 -4.8351 -4.8351 -3.7021 -3.7021 -3.6934 -3.6934 7.9543 7.9543 8.1732 8.1732 8.1957 8.1957 9.3538 9.3538 9.3644 9.3644 9.4663 9.4663 9.9528 9.9528 10.0450 10.0450 10.0667 10.0667 12.0622 12.0622 12.0802 12.0802 12.1992 12.1992 15.8530 15.8530 15.8547 15.8547 k = 0.0435 0.0435 0.0435 ( 2529 PWs) bands (ev): -48.7525 -48.7525 -24.6273 -24.6273 -22.1644 -22.1644 -22.1584 -22.1584 -22.0740 -22.0740 -6.6624 -6.6624 -6.0088 -6.0088 -6.0043 -6.0043 -4.8306 -4.8306 -3.7009 -3.7009 -3.6885 -3.6885 7.9404 7.9404 8.1554 8.1554 8.1866 8.1866 9.3147 9.3147 9.3256 9.3256 9.4718 9.4718 9.9182 9.9182 10.0129 10.0129 10.0409 10.0409 12.0973 12.0973 12.1228 12.1228 12.2384 12.2384 15.8927 15.8927 15.8951 15.8951 k = 0.0507 0.0507 0.0507 ( 2529 PWs) bands (ev): -48.7524 -48.7524 -24.6277 -24.6277 -22.1668 -22.1668 -22.1590 -22.1590 -22.0718 -22.0718 -6.6607 -6.6607 -6.0072 -6.0072 -6.0012 -6.0012 -4.8253 -4.8253 -3.6997 -3.6997 -3.6829 -3.6829 7.9234 7.9234 8.1351 8.1351 8.1757 8.1757 9.2700 9.2700 9.2810 9.2810 9.4785 9.4785 9.8768 9.8768 9.9788 9.9788 10.0121 10.0121 12.1372 12.1372 12.1709 12.1709 12.2832 12.2832 15.9390 15.9390 15.9421 15.9421 k = 0.0580 0.0580 0.0580 ( 2526 PWs) bands (ev): -48.7524 -48.7524 -24.6281 -24.6281 -22.1693 -22.1693 -22.1597 -22.1597 -22.0695 -22.0695 -6.6586 -6.6586 -6.0054 -6.0054 -5.9975 -5.9975 -4.8194 -4.8194 -3.6982 -3.6982 -3.6764 -3.6764 7.9031 7.9031 8.1124 8.1124 8.1629 8.1629 9.2202 9.2202 9.2313 9.2313 9.4862 9.4862 9.8285 9.8285 9.9439 9.9439 9.9809 9.9809 12.1813 12.1813 12.2239 12.2239 12.3329 12.3329 15.9916 15.9916 15.9955 15.9955 k = 0.0652 0.0652 0.0652 ( 2529 PWs) bands (ev): -48.7524 -48.7524 -24.6286 -24.6286 -22.1719 -22.1719 -22.1605 -22.1605 -22.0671 -22.0671 -6.6561 -6.6561 -6.0032 -6.0032 -5.9933 -5.9933 -4.8129 -4.8129 -3.6967 -3.6967 -3.6693 -3.6693 7.8792 7.8792 8.0878 8.0878 8.1479 8.1479 9.1660 9.1660 9.1771 9.1771 9.4949 9.4949 9.7739 9.7739 9.9087 9.9087 9.9479 9.9479 12.2291 12.2291 12.2811 12.2811 12.3871 12.3871 16.0502 16.0502 16.0550 16.0550 k = 0.0725 0.0725 0.0725 ( 2538 PWs) bands (ev): -48.7524 -48.7524 -24.6292 -24.6292 -22.1747 -22.1747 -22.1613 -22.1613 -22.0646 -22.0646 -6.6531 -6.6531 -6.0007 -6.0007 -5.9887 -5.9887 -4.8059 -4.8059 -3.6950 -3.6950 -3.6615 -3.6615 7.8516 7.8516 8.0614 8.0614 8.1308 8.1308 9.1079 9.1079 9.1189 9.1189 9.5046 9.5046 9.7140 9.7140 9.8735 9.8735 9.9137 9.9137 12.2803 12.2803 12.3417 12.3417 12.4450 12.4450 16.1144 16.1144 16.1202 16.1202 k = 0.0797 0.0797 0.0797 ( 2538 PWs) bands (ev): -48.7524 -48.7524 -24.6298 -24.6298 -22.1775 -22.1775 -22.1622 -22.1622 -22.0622 -22.0622 -6.6496 -6.6496 -5.9979 -5.9979 -5.9835 -5.9835 -4.7984 -4.7984 -3.6933 -3.6933 -3.6531 -3.6531 7.8202 7.8202 8.0334 8.0334 8.1113 8.1113 9.0465 9.0465 9.0573 9.0573 9.5152 9.5152 9.6495 9.6495 9.8386 9.8386 9.8788 9.8788 12.3345 12.3345 12.4053 12.4053 12.5061 12.5061 16.1840 16.1840 16.1906 16.1906 k = 0.0870 0.0870 0.0870 ( 2538 PWs) bands (ev): -48.7524 -48.7524 -24.6305 -24.6305 -22.1803 -22.1803 -22.1632 -22.1632 -22.0597 -22.0597 -6.6456 -6.6456 -5.9948 -5.9948 -5.9778 -5.9778 -4.7905 -4.7905 -3.6914 -3.6914 -3.6442 -3.6442 7.7850 7.7850 8.0040 8.0040 8.0894 8.0894 8.9822 8.9822 8.9928 8.9928 9.5267 9.5267 9.5813 9.5813 9.8043 9.8043 9.8439 9.8439 12.3915 12.3915 12.4713 12.4713 12.5700 12.5700 16.2586 16.2586 16.2661 16.2661 k = 0.0942 0.0942 0.0942 ( 2538 PWs) bands (ev): -48.7523 -48.7523 -24.6312 -24.6312 -22.1831 -22.1831 -22.1643 -22.1643 -22.0573 -22.0573 -6.6409 -6.6409 -5.9913 -5.9913 -5.9716 -5.9716 -4.7822 -4.7822 -3.6896 -3.6896 -3.6348 -3.6348 7.7460 7.7460 7.9731 7.9731 8.0649 8.0649 8.9156 8.9156 8.9258 8.9258 9.5089 9.5089 9.5401 9.5401 9.7707 9.7707 9.8094 9.8094 12.4510 12.4510 12.5393 12.5393 12.6362 12.6362 16.3379 16.3379 16.3461 16.3461 k = 0.1014 0.1014 0.1014 ( 2532 PWs) bands (ev): -48.7522 -48.7522 -24.6319 -24.6319 -22.1858 -22.1858 -22.1654 -22.1654 -22.0549 -22.0549 -6.6356 -6.6356 -5.9875 -5.9875 -5.9649 -5.9649 -4.7737 -4.7737 -3.6878 -3.6878 -3.6250 -3.6250 7.7037 7.7037 7.9407 7.9407 8.0377 8.0377 8.8471 8.8471 8.8569 8.8569 9.4350 9.4350 9.5532 9.5532 9.7384 9.7384 9.7759 9.7759 12.5129 12.5129 12.6089 12.6089 12.7042 12.7042 16.4215 16.4215 16.4303 16.4303 k = 0.1087 0.1087 0.1087 ( 2544 PWs) bands (ev): -48.7523 -48.7523 -24.6328 -24.6328 -22.1886 -22.1886 -22.1667 -22.1667 -22.0527 -22.0527 -6.6296 -6.6296 -5.9833 -5.9833 -5.9577 -5.9577 -4.7651 -4.7651 -3.6859 -3.6859 -3.6149 -3.6149 7.6582 7.6582 7.9067 7.9067 8.0079 8.0079 8.7769 8.7769 8.7863 8.7863 9.3585 9.3585 9.5676 9.5676 9.7076 9.7076 9.7438 9.7438 12.5769 12.5769 12.6798 12.6798 12.7738 12.7738 16.5091 16.5091 16.5181 16.5181 k = 0.1159 0.1159 0.1159 ( 2538 PWs) bands (ev): -48.7522 -48.7522 -24.6336 -24.6336 -22.1912 -22.1912 -22.1679 -22.1679 -22.0505 -22.0505 -6.6229 -6.6229 -5.9787 -5.9787 -5.9500 -5.9500 -4.7563 -4.7563 -3.6842 -3.6842 -3.6045 -3.6045 7.6099 7.6099 7.8710 7.8710 7.9752 7.9752 8.7055 8.7055 8.7145 8.7145 9.2801 9.2801 9.5828 9.5828 9.6786 9.6786 9.7135 9.7135 12.6430 12.6430 12.7517 12.7517 12.8447 12.8447 16.6002 16.6002 16.6093 16.6093 k = 0.1232 0.1232 0.1232 ( 2539 PWs) bands (ev): -48.7521 -48.7521 -24.6345 -24.6345 -22.1938 -22.1938 -22.1693 -22.1693 -22.0484 -22.0484 -6.6153 -6.6153 -5.9737 -5.9737 -5.9418 -5.9418 -4.7475 -4.7475 -3.6825 -3.6825 -3.5941 -3.5941 7.5592 7.5592 7.8334 7.8334 7.9398 7.9398 8.6330 8.6330 8.6416 8.6416 9.2000 9.2000 9.5989 9.5989 9.6519 9.6519 9.6854 9.6854 12.7109 12.7109 12.8244 12.8244 12.9166 12.9166 16.6946 16.6946 16.7029 16.7029 k = 0.1304 0.1304 0.1304 ( 2542 PWs) bands (ev): -48.7521 -48.7521 -24.6354 -24.6354 -22.1963 -22.1963 -22.1707 -22.1707 -22.0465 -22.0465 -6.6069 -6.6069 -5.9683 -5.9683 -5.9330 -5.9330 -4.7387 -4.7387 -3.6810 -3.6810 -3.5835 -3.5835 7.5065 7.5065 7.7938 7.7938 7.9016 7.9016 8.5599 8.5599 8.5681 8.5681 9.1187 9.1187 9.6155 9.6155 9.6278 9.6278 9.6599 9.6599 12.7805 12.7805 12.8977 12.8977 12.9893 12.9893 16.7917 16.7917 16.7983 16.7983 k = 0.1377 0.1377 0.1377 ( 2536 PWs) bands (ev): -48.7519 -48.7519 -24.6364 -24.6364 -22.1987 -22.1987 -22.1722 -22.1722 -22.0447 -22.0447 -6.5976 -6.5976 -5.9625 -5.9625 -5.9237 -5.9237 -4.7300 -4.7300 -3.6795 -3.6795 -3.5730 -3.5730 7.4522 7.4522 7.7523 7.7523 7.8608 7.8608 8.4862 8.4862 8.4941 8.4941 9.0363 9.0363 9.6053 9.6053 9.6340 9.6340 9.6371 9.6371 12.8518 12.8518 12.9715 12.9715 13.0627 13.0627 16.8909 16.8909 16.8937 16.8937 k = 0.1449 0.1449 0.1449 ( 2536 PWs) bands (ev): -48.7519 -48.7519 -24.6374 -24.6374 -22.2010 -22.2010 -22.1737 -22.1737 -22.0430 -22.0430 -6.5874 -6.5874 -5.9562 -5.9562 -5.9140 -5.9140 -4.7215 -4.7215 -3.6783 -3.6783 -3.5626 -3.5626 7.3968 7.3968 7.7088 7.7088 7.8173 7.8173 8.4123 8.4123 8.4198 8.4198 8.9530 8.9530 9.5865 9.5865 9.6172 9.6172 9.6524 9.6524 12.9245 12.9245 13.0456 13.0456 13.1366 13.1366 16.9872 16.9872 16.9909 16.9909 k = 0.1522 0.1522 0.1522 ( 2536 PWs) bands (ev): -48.7518 -48.7518 -24.6384 -24.6384 -22.2031 -22.2031 -22.1753 -22.1753 -22.0415 -22.0415 -6.5762 -6.5762 -5.9495 -5.9495 -5.9037 -5.9037 -4.7132 -4.7132 -3.6773 -3.6773 -3.5524 -3.5524 7.3405 7.3405 7.6633 7.6633 7.7714 7.7714 8.3383 8.3383 8.3456 8.3456 8.8691 8.8691 9.5705 9.5705 9.6004 9.6004 9.6717 9.6717 12.9985 12.9985 13.1200 13.1200 13.2108 13.2108 17.0772 17.0772 17.0887 17.0887 k = 0.1594 0.1594 0.1594 ( 2542 PWs) bands (ev): -48.7518 -48.7518 -24.6395 -24.6395 -22.2052 -22.2052 -22.1770 -22.1770 -22.0401 -22.0401 -6.5640 -6.5640 -5.9424 -5.9424 -5.8929 -5.8929 -4.7053 -4.7053 -3.6766 -3.6766 -3.5426 -3.5426 7.2837 7.2837 7.6158 7.6158 7.7231 7.7231 8.2645 8.2645 8.2715 8.2715 8.7846 8.7846 9.5575 9.5575 9.5867 9.5867 9.6917 9.6917 13.0737 13.0737 13.1946 13.1946 13.2854 13.2854 17.1639 17.1639 17.1804 17.1804 k = 0.1667 0.1667 0.1667 ( 2557 PWs) bands (ev): -48.7519 -48.7519 -24.6407 -24.6407 -22.2072 -22.2072 -22.1788 -22.1788 -22.0389 -22.0389 -6.5508 -6.5508 -5.9347 -5.9347 -5.8816 -5.8816 -4.6977 -4.6977 -3.6761 -3.6761 -3.5332 -3.5332 7.2268 7.2268 7.5666 7.5666 7.6726 7.6726 8.1910 8.1910 8.1979 8.1979 8.6997 8.6997 9.5475 9.5475 9.5762 9.5762 9.7124 9.7124 13.1499 13.1499 13.2692 13.2692 13.3603 13.3603 17.2487 17.2487 17.2672 17.2672 k = 0.1739 0.1739 0.1739 ( 2542 PWs) bands (ev): -48.7517 -48.7517 -24.6418 -24.6418 -22.2090 -22.2090 -22.1805 -22.1805 -22.0378 -22.0378 -6.5365 -6.5365 -5.9266 -5.9266 -5.8698 -5.8698 -4.6905 -4.6905 -3.6759 -3.6759 -3.5243 -3.5243 7.1702 7.1702 7.5156 7.5156 7.6201 7.6201 8.1181 8.1181 8.1248 8.1248 8.6146 8.6146 9.5407 9.5407 9.5689 9.5689 9.7337 9.7337 13.2269 13.2269 13.3438 13.3438 13.4353 13.4353 17.3327 17.3327 17.3522 17.3522 k = 0.1812 0.1812 0.1812 ( 2536 PWs) bands (ev): -48.7515 -48.7515 -24.6429 -24.6429 -22.2107 -22.2107 -22.1822 -22.1822 -22.0369 -22.0369 -6.5211 -6.5211 -5.9181 -5.9181 -5.8575 -5.8575 -4.6837 -4.6837 -3.6760 -3.6760 -3.5159 -3.5159 7.1140 7.1140 7.4630 7.4630 7.5657 7.5657 8.0460 8.0460 8.0524 8.0524 8.5294 8.5294 9.5369 9.5369 9.5647 9.5647 9.7556 9.7556 13.3047 13.3047 13.4184 13.4184 13.5104 13.5104 17.4160 17.4160 17.4366 17.4366 k = 0.1884 0.1884 0.1884 ( 2542 PWs) bands (ev): -48.7515 -48.7515 -24.6441 -24.6441 -22.2123 -22.2123 -22.1840 -22.1840 -22.0361 -22.0361 -6.5047 -6.5047 -5.9090 -5.9090 -5.8447 -5.8447 -4.6775 -4.6775 -3.6765 -3.6765 -3.5083 -3.5083 7.0586 7.0586 7.4089 7.4089 7.5095 7.5095 7.9748 7.9748 7.9811 7.9811 8.4441 8.4441 9.5360 9.5360 9.5635 9.5635 9.7781 9.7781 13.3830 13.3830 13.4930 13.4930 13.5855 13.5855 17.4987 17.4987 17.5205 17.5205 k = 0.1957 0.1957 0.1957 ( 2539 PWs) bands (ev): -48.7514 -48.7514 -24.6453 -24.6453 -22.2138 -22.2138 -22.1859 -22.1859 -22.0354 -22.0354 -6.4871 -6.4871 -5.8995 -5.8995 -5.8314 -5.8314 -4.6719 -4.6719 -3.6774 -3.6774 -3.5015 -3.5015 7.0044 7.0044 7.3534 7.3534 7.4518 7.4518 7.9049 7.9049 7.9108 7.9108 8.3590 8.3590 9.5381 9.5381 9.5653 9.5653 9.8012 9.8012 13.4617 13.4617 13.5674 13.5674 13.6607 13.6607 17.5807 17.5807 17.6040 17.6040 k = 0.2029 0.2029 0.2029 ( 2539 PWs) bands (ev): -48.7513 -48.7513 -24.6465 -24.6465 -22.2151 -22.2151 -22.1877 -22.1877 -22.0349 -22.0349 -6.4685 -6.4685 -5.8895 -5.8895 -5.8177 -5.8177 -4.6668 -4.6668 -3.6787 -3.6787 -3.4955 -3.4955 6.9515 6.9515 7.2968 7.2968 7.3925 7.3925 7.8364 7.8364 7.8419 7.8419 8.2740 8.2740 9.5430 9.5430 9.5700 9.5700 9.8247 9.8247 13.5407 13.5407 13.6417 13.6417 13.7358 13.7358 17.6616 17.6616 17.6867 17.6867 k = 0.2101 0.2101 0.2101 ( 2539 PWs) bands (ev): -48.7512 -48.7512 -24.6477 -24.6477 -22.2164 -22.2164 -22.1896 -22.1896 -22.0345 -22.0345 -6.4487 -6.4487 -5.8790 -5.8790 -5.8035 -5.8035 -4.6623 -4.6623 -3.6804 -3.6804 -3.4905 -3.4905 6.9001 6.9001 7.2390 7.2390 7.3320 7.3320 7.7696 7.7696 7.7744 7.7744 8.1894 8.1894 9.5506 9.5506 9.5773 9.5773 9.8486 9.8486 13.6197 13.6197 13.7157 13.7157 13.8109 13.8109 17.7413 17.7413 17.7682 17.7682 k = 0.2174 0.2174 0.2174 ( 2545 PWs) bands (ev): -48.7512 -48.7512 -24.6489 -24.6489 -22.2176 -22.2176 -22.1915 -22.1915 -22.0342 -22.0342 -6.4278 -6.4278 -5.8680 -5.8680 -5.7888 -5.7888 -4.6586 -4.6586 -3.6826 -3.6826 -3.4865 -3.4865 6.8505 6.8505 7.1804 7.1804 7.2702 7.2702 7.7045 7.7045 7.7085 7.7085 8.1051 8.1051 9.5609 9.5609 9.5873 9.5873 9.8730 9.8730 13.6985 13.6985 13.7896 13.7896 13.8858 13.8858 17.8192 17.8192 17.8481 17.8481 k = 0.2246 0.2246 0.2246 ( 2551 PWs) bands (ev): -48.7512 -48.7512 -24.6502 -24.6502 -22.2186 -22.2186 -22.1935 -22.1935 -22.0341 -22.0341 -6.4057 -6.4057 -5.8566 -5.8566 -5.7738 -5.7738 -4.6555 -4.6555 -3.6852 -3.6852 -3.4836 -3.4836 6.8029 6.8029 7.1209 7.1209 7.2074 7.2074 7.6414 7.6414 7.6444 7.6444 8.0214 8.0214 9.5736 9.5736 9.5998 9.5998 9.8977 9.8977 13.7772 13.7772 13.8632 13.8632 13.9605 13.9605 17.8951 17.8951 17.9259 17.9259 k = 0.2319 0.2319 0.2319 ( 2551 PWs) bands (ev): -48.7511 -48.7511 -24.6514 -24.6514 -22.2196 -22.2196 -22.1955 -22.1955 -22.0341 -22.0341 -6.3826 -6.3826 -5.8447 -5.8447 -5.7583 -5.7583 -4.6532 -4.6532 -3.6883 -3.6883 -3.4818 -3.4818 6.7575 6.7575 7.0608 7.0608 7.1437 7.1437 7.5804 7.5804 7.5821 7.5821 7.9383 7.9383 9.5888 9.5888 9.6147 9.6147 9.9228 9.9228 13.8554 13.8554 13.9364 13.9364 14.0350 14.0350 17.9682 17.9682 17.9999 17.9999 k = 0.2391 0.2391 0.2391 ( 2548 PWs) bands (ev): -48.7510 -48.7510 -24.6527 -24.6527 -22.2206 -22.2206 -22.1974 -22.1974 -22.0341 -22.0341 -6.3584 -6.3584 -5.8323 -5.8323 -5.7424 -5.7424 -4.6516 -4.6516 -3.6918 -3.6918 -3.4813 -3.4813 6.7143 6.7143 7.0002 7.0002 7.0793 7.0793 7.5216 7.5216 7.5218 7.5218 7.8558 7.8558 9.6062 9.6062 9.6318 9.6318 9.9481 9.9481 13.9331 13.9331 14.0093 14.0093 14.1092 14.1092 18.0382 18.0382 18.0515 18.0515 k = 0.2464 0.2464 0.2464 ( 2542 PWs) bands (ev): -48.7508 -48.7508 -24.6539 -24.6539 -22.2214 -22.2214 -22.1993 -22.1993 -22.0342 -22.0342 -6.3331 -6.3331 -5.8195 -5.8195 -5.7261 -5.7261 -4.6507 -4.6507 -3.6959 -3.6959 -3.4820 -3.4820 6.6736 6.6736 6.9393 6.9393 7.0143 7.0143 7.4635 7.4635 7.4650 7.4650 7.7742 7.7742 9.6259 9.6259 9.6511 9.6511 9.9736 9.9736 14.0102 14.0102 14.0818 14.0818 14.1830 14.1830 18.0787 18.0787 18.1043 18.1043 k = 0.2536 0.2536 0.2536 ( 2542 PWs) bands (ev): -48.7507 -48.7507 -24.6551 -24.6551 -22.2222 -22.2222 -22.2013 -22.2013 -22.0344 -22.0344 -6.3068 -6.3068 -5.8063 -5.8063 -5.7095 -5.7095 -4.6507 -4.6507 -3.7004 -3.7004 -3.4840 -3.4840 6.6352 6.6352 6.8782 6.8782 6.9490 6.9490 7.4073 7.4073 7.4106 7.4106 7.6935 7.6935 9.6475 9.6475 9.6724 9.6724 9.9993 9.9993 14.0864 14.0864 14.1538 14.1538 14.2563 14.2563 18.1020 18.1020 18.1659 18.1659 k = 0.2609 0.2609 0.2609 ( 2542 PWs) bands (ev): -48.7506 -48.7506 -24.6564 -24.6564 -22.2229 -22.2229 -22.2033 -22.2033 -22.0346 -22.0346 -6.2794 -6.2794 -5.7926 -5.7926 -5.6925 -5.6925 -4.6514 -4.6514 -3.7054 -3.7054 -3.4873 -3.4873 6.5994 6.5994 6.8171 6.8171 6.8834 6.8834 7.3532 7.3532 7.3585 7.3585 7.6138 7.6138 9.6711 9.6711 9.6956 9.6956 10.0251 10.0251 14.1618 14.1618 14.2252 14.2252 14.3291 14.3291 18.1227 18.1227 18.2220 18.2220 k = 0.2681 0.2681 0.2681 ( 2533 PWs) bands (ev): -48.7504 -48.7504 -24.6575 -24.6575 -22.2235 -22.2235 -22.2052 -22.2052 -22.0349 -22.0349 -6.2511 -6.2511 -5.7785 -5.7785 -5.6752 -5.6752 -4.6530 -4.6530 -3.7109 -3.7109 -3.4920 -3.4920 6.5661 6.5661 6.7564 6.7564 6.8180 6.8180 7.3012 7.3012 7.3087 7.3087 7.5353 7.5353 9.6965 9.6965 9.7205 9.7205 10.0509 10.0509 14.2361 14.2361 14.2961 14.2961 14.4012 14.4012 18.1411 18.1411 18.2718 18.2718 k = 0.2754 0.2754 0.2754 ( 2521 PWs) bands (ev): -48.7502 -48.7502 -24.6587 -24.6587 -22.2241 -22.2241 -22.2071 -22.2071 -22.0352 -22.0352 -6.2218 -6.2218 -5.7640 -5.7640 -5.6577 -5.6577 -4.6553 -4.6553 -3.7169 -3.7169 -3.4980 -3.4980 6.5351 6.5351 6.6962 6.6962 6.7528 6.7528 7.2514 7.2514 7.2610 7.2610 7.4580 7.4580 9.7237 9.7237 9.7472 9.7472 10.0768 10.0768 14.3094 14.3094 14.3662 14.3662 14.4726 14.4726 18.1571 18.1571 18.3143 18.3143 k = 0.2826 0.2826 0.2826 ( 2521 PWs) bands (ev): -48.7501 -48.7501 -24.6599 -24.6599 -22.2248 -22.2248 -22.2090 -22.2090 -22.0355 -22.0355 -6.1916 -6.1916 -5.7492 -5.7492 -5.6399 -5.6399 -4.6585 -4.6585 -3.7233 -3.7233 -3.5054 -3.5054 6.5063 6.5063 6.6371 6.6371 6.6880 6.6880 7.2037 7.2037 7.2155 7.2155 7.3821 7.3821 9.7523 9.7523 9.7754 9.7754 10.1026 10.1026 14.3814 14.3814 14.4357 14.4357 14.5433 14.5433 18.1706 18.1706 18.3485 18.3485 k = 0.2899 0.2899 0.2899 ( 2515 PWs) bands (ev): -48.7499 -48.7499 -24.6611 -24.6611 -22.2254 -22.2254 -22.2109 -22.2109 -22.0358 -22.0358 -6.1605 -6.1605 -5.7340 -5.7340 -5.6219 -5.6219 -4.6625 -4.6625 -3.7302 -3.7302 -3.5141 -3.5141 6.4788 6.4788 6.5798 6.5798 6.6238 6.6238 7.1580 7.1580 7.1720 7.1720 7.3077 7.3077 9.7825 9.7825 9.8051 9.8051 10.1283 10.1283 14.4522 14.4522 14.5043 14.5043 14.6130 14.6130 18.1814 18.1814 18.3735 18.3735 k = 0.2971 0.2971 0.2971 ( 2515 PWs) bands (ev): -48.7499 -48.7499 -24.6623 -24.6623 -22.2260 -22.2260 -22.2127 -22.2127 -22.0362 -22.0362 -6.1287 -6.1287 -5.7185 -5.7185 -5.6036 -5.6036 -4.6674 -4.6674 -3.7376 -3.7376 -3.5241 -3.5241 6.4508 6.4508 6.5264 6.5264 6.5605 6.5605 7.1144 7.1144 7.1306 7.1306 7.2350 7.2350 9.8140 9.8140 9.8360 9.8360 10.1538 10.1538 14.5217 14.5217 14.5720 14.5720 14.6817 14.6817 18.1893 18.1893 18.3888 18.3888 k = 0.3043 0.3043 0.3043 ( 2509 PWs) bands (ev): -48.7497 -48.7497 -24.6634 -24.6634 -22.2266 -22.2266 -22.2146 -22.2146 -22.0365 -22.0365 -6.0960 -6.0960 -5.7027 -5.7027 -5.5853 -5.5853 -4.6730 -4.6730 -3.7453 -3.7453 -3.5354 -3.5354 6.4178 6.4178 6.4814 6.4814 6.4981 6.4981 7.0728 7.0728 7.0912 7.0912 7.1642 7.1642 9.8466 9.8466 9.8682 9.8682 10.1791 10.1791 14.5898 14.5898 14.6387 14.6387 14.7494 14.7494 18.1942 18.1942 18.3939 18.3939 k = 0.3116 0.3116 0.3116 ( 2503 PWs) bands (ev): -48.7495 -48.7495 -24.6645 -24.6645 -22.2272 -22.2272 -22.2164 -22.2164 -22.0368 -22.0368 -6.0627 -6.0627 -5.6865 -5.6865 -5.5668 -5.5668 -4.6795 -4.6795 -3.7535 -3.7535 -3.5480 -3.5480 6.3750 6.3750 6.4369 6.4369 6.4495 6.4495 7.0331 7.0331 7.0537 7.0537 7.0955 7.0955 9.8804 9.8804 9.9014 9.9014 10.2042 10.2042 14.6565 14.6565 14.7043 14.7043 14.8159 14.8159 18.1957 18.1957 18.3890 18.3890 k = 0.3188 0.3188 0.3188 ( 2503 PWs) bands (ev): -48.7494 -48.7494 -24.6656 -24.6656 -22.2278 -22.2278 -22.2181 -22.2181 -22.0371 -22.0371 -6.0287 -6.0287 -5.6702 -5.6702 -5.5483 -5.5483 -4.6868 -4.6868 -3.7620 -3.7620 -3.5618 -3.5618 6.3253 6.3253 6.3770 6.3770 6.4279 6.4279 6.9950 6.9950 7.0181 7.0181 7.0292 7.0292 9.9150 9.9150 9.9355 9.9355 10.2289 10.2289 14.7217 14.7217 14.7687 14.7687 14.8812 14.8812 18.1936 18.1936 18.3747 18.3747 k = 0.3261 0.3261 0.3261 ( 2503 PWs) bands (ev): -48.7494 -48.7494 -24.6667 -24.6667 -22.2284 -22.2284 -22.2199 -22.2199 -22.0373 -22.0373 -5.9942 -5.9942 -5.6536 -5.6536 -5.5297 -5.5297 -4.6949 -4.6949 -3.7709 -3.7709 -3.5767 -3.5767 6.2734 6.2734 6.3184 6.3184 6.4118 6.4118 6.9556 6.9556 6.9686 6.9686 6.9844 6.9844 9.9505 9.9505 9.9705 9.9705 10.2533 10.2533 14.7853 14.7853 14.8318 14.8318 14.9451 14.9451 18.1878 18.1878 18.3518 18.3518 k = 0.3333 0.3333 0.3333 ( 2509 PWs) bands (ev): -48.7494 -48.7494 -24.6678 -24.6678 -22.2292 -22.2292 -22.2216 -22.2216 -22.0375 -22.0375 -5.9591 -5.9591 -5.6369 -5.6369 -5.5111 -5.5111 -4.7038 -4.7038 -3.7800 -3.7800 -3.5927 -3.5927 6.2214 6.2214 6.2615 6.2615 6.3987 6.3987 6.9006 6.9006 6.9282 6.9282 6.9523 6.9523 9.9865 9.9865 10.0060 10.0060 10.2771 10.2771 14.8474 14.8474 14.8936 14.8936 15.0076 15.0076 18.1779 18.1779 18.3212 18.3212 k = 0.3406 0.3406 0.3406 ( 2509 PWs) bands (ev): -48.7493 -48.7493 -24.6689 -24.6689 -22.2298 -22.2298 -22.2232 -22.2232 -22.0376 -22.0376 -5.9236 -5.9236 -5.6200 -5.6200 -5.4927 -5.4927 -4.7135 -4.7135 -3.7895 -3.7895 -3.6096 -3.6096 6.1703 6.1703 6.2062 6.2062 6.3875 6.3875 6.8429 6.8429 6.8955 6.8955 6.9221 6.9221 10.0231 10.0231 10.0421 10.0421 10.3005 10.3005 14.9078 14.9078 14.9539 14.9539 15.0686 15.0686 18.1639 18.1639 18.2843 18.2843 k = 0.3478 0.3478 0.3478 ( 2503 PWs) bands (ev): -48.7491 -48.7491 -24.6699 -24.6699 -22.2305 -22.2305 -22.2248 -22.2248 -22.0377 -22.0377 -5.8878 -5.8878 -5.6030 -5.6030 -5.4743 -5.4743 -4.7239 -4.7239 -3.7991 -3.7991 -3.6274 -3.6274 6.1205 6.1205 6.1526 6.1526 6.3773 6.3773 6.7882 6.7882 6.8650 6.8650 6.8935 6.8935 10.0600 10.0600 10.0784 10.0784 10.3234 10.3234 14.9667 14.9667 15.0125 15.0125 15.1281 15.1281 18.1457 18.1457 18.2421 18.2421 k = 0.3551 0.3551 0.3551 ( 2503 PWs) bands (ev): -48.7491 -48.7491 -24.6709 -24.6709 -22.2313 -22.2313 -22.2264 -22.2264 -22.0377 -22.0377 -5.8516 -5.8516 -5.5860 -5.5860 -5.4561 -5.4561 -4.7352 -4.7352 -3.8089 -3.8089 -3.6461 -3.6461 6.0721 6.0721 6.1010 6.1010 6.3674 6.3674 6.7376 6.7376 6.8365 6.8365 6.8665 6.8665 10.0970 10.0970 10.1150 10.1150 10.3456 10.3456 15.0238 15.0238 15.0695 15.0695 15.1858 15.1858 18.1232 18.1232 18.1956 18.1956 k = 0.3623 0.3623 0.3623 ( 2509 PWs) bands (ev): -48.7491 -48.7491 -24.6718 -24.6718 -22.2320 -22.2320 -22.2279 -22.2279 -22.0377 -22.0377 -5.8153 -5.8153 -5.5689 -5.5689 -5.4382 -5.4382 -4.7471 -4.7471 -3.8189 -3.8189 -3.6653 -3.6653 6.0255 6.0255 6.0513 6.0513 6.3568 6.3568 6.6919 6.6919 6.8097 6.8097 6.8412 6.8412 10.1340 10.1340 10.1515 10.1515 10.3672 10.3672 15.0793 15.0793 15.1247 15.1247 15.2418 15.2418 18.0965 18.0965 18.1458 18.1458 k = 0.3696 0.3696 0.3696 ( 2509 PWs) bands (ev): -48.7490 -48.7490 -24.6727 -24.6727 -22.2328 -22.2328 -22.2294 -22.2294 -22.0377 -22.0377 -5.7789 -5.7789 -5.5518 -5.5518 -5.4206 -5.4206 -4.7598 -4.7598 -3.8289 -3.8289 -3.6851 -3.6851 5.9807 5.9807 6.0037 6.0037 6.3444 6.3444 6.6519 6.6519 6.7846 6.7846 6.8173 6.8173 10.1708 10.1708 10.1878 10.1878 10.3880 10.3880 15.1330 15.1330 15.1779 15.1779 15.2960 15.2960 18.0657 18.0657 18.0938 18.0938 k = 0.3768 0.3768 0.3768 ( 2515 PWs) bands (ev): -48.7490 -48.7490 -24.6736 -24.6736 -22.2336 -22.2336 -22.2308 -22.2308 -22.0376 -22.0376 -5.7424 -5.7424 -5.5349 -5.5349 -5.4033 -5.4033 -4.7733 -4.7733 -3.8389 -3.8389 -3.7054 -3.7054 5.9378 5.9378 5.9582 5.9582 6.3293 6.3293 6.6187 6.6187 6.7612 6.7612 6.7951 6.7951 10.2072 10.2072 10.2238 10.2238 10.4081 10.4081 15.1850 15.1850 15.2292 15.2292 15.3482 15.3482 18.0309 18.0309 18.0402 18.0402 k = 0.3841 0.3841 0.3841 ( 2509 PWs) bands (ev): -48.7489 -48.7489 -24.6744 -24.6744 -22.2344 -22.2344 -22.2321 -22.2321 -22.0374 -22.0374 -5.7061 -5.7061 -5.5180 -5.5180 -5.3865 -5.3865 -4.7874 -4.7874 -3.8489 -3.8489 -3.7259 -3.7259 5.8969 5.8969 5.9149 5.9149 6.3106 6.3106 6.5926 6.5926 6.7394 6.7394 6.7743 6.7743 10.2430 10.2430 10.2592 10.2592 10.4273 10.4273 15.2351 15.2351 15.2783 15.2783 15.3984 15.3984 17.9858 17.9858 17.9925 17.9925 k = 0.3913 0.3913 0.3913 ( 2506 PWs) bands (ev): -48.7488 -48.7488 -24.6752 -24.6752 -22.2351 -22.2351 -22.2333 -22.2333 -22.0372 -22.0372 -5.6701 -5.6701 -5.5012 -5.5012 -5.3701 -5.3701 -4.8022 -4.8022 -3.8588 -3.8588 -3.7465 -3.7465 5.8582 5.8582 5.8739 5.8739 6.2884 6.2884 6.5738 6.5738 6.7193 6.7193 6.7549 6.7549 10.2780 10.2780 10.2939 10.2939 10.4457 10.4457 15.2834 15.2834 15.3252 15.3252 15.4465 15.4465 17.9314 17.9314 17.9485 17.9485 k = 0.3986 0.3986 0.3986 ( 2509 PWs) bands (ev): -48.7488 -48.7488 -24.6760 -24.6760 -22.2360 -22.2360 -22.2345 -22.2345 -22.0370 -22.0370 -5.6344 -5.6344 -5.4846 -5.4846 -5.3543 -5.3543 -4.8177 -4.8177 -3.8685 -3.8685 -3.7671 -3.7671 5.8216 5.8216 5.8353 5.8353 6.2633 6.2633 6.5613 6.5613 6.7009 6.7009 6.7369 6.7369 10.3120 10.3120 10.3276 10.3276 10.4631 10.4631 15.3298 15.3298 15.3697 15.3697 15.4924 15.4924 17.8775 17.8775 17.8948 17.8948 k = 0.4058 0.4058 0.4058 ( 2515 PWs) bands (ev): -48.7488 -48.7488 -24.6767 -24.6767 -22.2368 -22.2368 -22.2356 -22.2356 -22.0367 -22.0367 -5.5993 -5.5993 -5.4682 -5.4682 -5.3392 -5.3392 -4.8338 -4.8338 -3.8780 -3.8780 -3.7875 -3.7875 5.7873 5.7873 5.7990 5.7990 6.2361 6.2361 6.5540 6.5540 6.6841 6.6841 6.7204 6.7204 10.3449 10.3449 10.3601 10.3601 10.4796 10.4796 15.3741 15.3741 15.4118 15.4118 15.5359 15.5359 17.8247 17.8247 17.8402 17.8402 k = 0.4130 0.4130 0.4130 ( 2515 PWs) bands (ev): -48.7488 -48.7488 -24.6774 -24.6774 -22.2376 -22.2376 -22.2367 -22.2367 -22.0364 -22.0364 -5.5651 -5.5651 -5.4518 -5.4518 -5.3248 -5.3248 -4.8505 -4.8505 -3.8871 -3.8871 -3.8074 -3.8074 5.7553 5.7553 5.7653 5.7653 6.2081 6.2081 6.5506 6.5506 6.6690 6.6690 6.7051 6.7051 10.3763 10.3763 10.3913 10.3913 10.4951 10.4951 15.4163 15.4163 15.4513 15.4513 15.5771 15.5771 17.7735 17.7735 17.7872 17.7872 k = 0.4203 0.4203 0.4203 ( 2509 PWs) bands (ev): -48.7487 -48.7487 -24.6779 -24.6779 -22.2383 -22.2383 -22.2376 -22.2376 -22.0362 -22.0362 -5.5321 -5.5321 -5.4354 -5.4354 -5.3111 -5.3111 -4.8678 -4.8678 -3.8959 -3.8959 -3.8268 -3.8268 5.7256 5.7256 5.7340 5.7340 6.1803 6.1803 6.5497 6.5497 6.6557 6.6557 6.6913 6.6913 10.4062 10.4062 10.4209 10.4209 10.5095 10.5095 15.4563 15.4563 15.4881 15.4881 15.6158 15.6158 17.7245 17.7245 17.7365 17.7365 k = 0.4275 0.4275 0.4275 ( 2503 PWs) bands (ev): -48.7485 -48.7485 -24.6785 -24.6785 -22.2390 -22.2390 -22.2385 -22.2385 -22.0359 -22.0359 -5.5009 -5.5009 -5.4185 -5.4185 -5.2984 -5.2984 -4.8856 -4.8856 -3.9042 -3.9042 -3.8454 -3.8454 5.6984 5.6984 5.7053 5.7053 6.1533 6.1533 6.5504 6.5504 6.6442 6.6442 6.6787 6.6787 10.4342 10.4342 10.4488 10.4488 10.5228 10.5228 15.4938 15.4938 15.5222 15.5222 15.6518 15.6518 17.6780 17.6780 17.6885 17.6885 k = 0.4348 0.4348 0.4348 ( 2512 PWs) bands (ev): -48.7486 -48.7486 -24.6790 -24.6790 -22.2397 -22.2397 -22.2393 -22.2393 -22.0356 -22.0356 -5.4723 -5.4723 -5.4007 -5.4007 -5.2865 -5.2865 -4.9040 -4.9040 -3.9120 -3.9120 -3.8631 -3.8631 5.6736 5.6736 5.6792 5.6792 6.1279 6.1279 6.5518 6.5518 6.6348 6.6348 6.6673 6.6673 10.4602 10.4602 10.4746 10.4746 10.5351 10.5351 15.5288 15.5288 15.5535 15.5535 15.6851 15.6851 17.6346 17.6346 17.6436 17.6436 k = 0.4420 0.4420 0.4420 ( 2512 PWs) bands (ev): -48.7486 -48.7486 -24.6795 -24.6795 -22.2403 -22.2403 -22.2401 -22.2401 -22.0353 -22.0353 -5.4474 -5.4474 -5.3811 -5.3811 -5.2757 -5.2757 -4.9227 -4.9227 -3.9192 -3.9192 -3.8796 -3.8796 5.6514 5.6514 5.6558 5.6558 6.1044 6.1044 6.5531 6.5531 6.6275 6.6275 6.6572 6.6572 10.4840 10.4840 10.4984 10.4984 10.5462 10.5462 15.5610 15.5610 15.5818 15.5818 15.7156 15.7156 17.5946 17.5946 17.6022 17.6022 k = 0.4493 0.4493 0.4493 ( 2506 PWs) bands (ev): -48.7485 -48.7485 -24.6799 -24.6799 -22.2408 -22.2408 -22.2407 -22.2407 -22.0350 -22.0350 -5.4269 -5.4269 -5.3592 -5.3592 -5.2660 -5.2660 -4.9417 -4.9417 -3.9257 -3.9257 -3.8947 -3.8947 5.6317 5.6317 5.6350 5.6350 6.0832 6.0832 6.5538 6.5538 6.6224 6.6224 6.6484 6.6484 10.5053 10.5053 10.5198 10.5198 10.5562 10.5562 15.5901 15.5901 15.6070 15.6070 15.7431 15.7431 17.5584 17.5584 17.5648 17.5648 k = 0.4565 0.4565 0.4565 ( 2500 PWs) bands (ev): -48.7484 -48.7484 -24.6802 -24.6802 -22.2413 -22.2413 -22.2412 -22.2412 -22.0348 -22.0348 -5.4108 -5.4108 -5.3355 -5.3355 -5.2574 -5.2574 -4.9608 -4.9608 -3.9316 -3.9316 -3.9083 -3.9083 5.6145 5.6145 5.6170 5.6170 6.0644 6.0644 6.5537 6.5537 6.6194 6.6194 6.6408 6.6408 10.5240 10.5240 10.5388 10.5388 10.5651 10.5651 15.6161 15.6161 15.6291 15.6291 15.7675 15.7675 17.5262 17.5262 17.5316 17.5316 k = 0.4638 0.4638 0.4638 ( 2503 PWs) bands (ev): -48.7484 -48.7484 -24.6805 -24.6805 -22.2417 -22.2417 -22.2417 -22.2417 -22.0345 -22.0345 -5.3983 -5.3983 -5.3112 -5.3112 -5.2500 -5.2500 -4.9797 -4.9797 -3.9366 -3.9366 -3.9201 -3.9201 5.5999 5.5999 5.6017 5.6017 6.0483 6.0483 6.5528 6.5528 6.6181 6.6181 6.6344 6.6344 10.5399 10.5399 10.5550 10.5550 10.5728 10.5728 15.6385 15.6385 15.6479 15.6479 15.7885 15.7885 17.4985 17.4985 17.5030 17.5030 k = 0.4710 0.4710 0.4710 ( 2509 PWs) bands (ev): -48.7485 -48.7485 -24.6808 -24.6808 -22.2421 -22.2421 -22.2421 -22.2421 -22.0344 -22.0344 -5.3888 -5.3888 -5.2878 -5.2878 -5.2439 -5.2439 -4.9979 -4.9979 -3.9408 -3.9408 -3.9301 -3.9301 5.5880 5.5880 5.5891 5.5891 6.0350 6.0350 6.5515 6.5515 6.6180 6.6180 6.6291 6.6291 10.5528 10.5528 10.5686 10.5686 10.5795 10.5795 15.6572 15.6572 15.6635 15.6635 15.8061 15.8061 17.4755 17.4755 17.4791 17.4791 k = 0.4783 0.4783 0.4783 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6810 -24.6810 -22.2425 -22.2425 -22.2424 -22.2424 -22.0342 -22.0342 -5.3817 -5.3817 -5.2664 -5.2664 -5.2391 -5.2391 -5.0147 -5.0147 -3.9441 -3.9441 -3.9380 -3.9380 5.5787 5.5787 5.5793 5.5793 6.0245 6.0245 6.5500 6.5500 6.6184 6.6184 6.6250 6.6250 10.5626 10.5626 10.5792 10.5792 10.5850 10.5850 15.6720 15.6720 15.6757 15.6757 15.8200 15.8200 17.4573 17.4573 17.4601 17.4601 k = 0.4855 0.4855 0.4855 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6811 -24.6811 -22.2427 -22.2427 -22.2427 -22.2427 -22.0341 -22.0341 -5.3767 -5.3767 -5.2489 -5.2489 -5.2356 -5.2356 -5.0287 -5.0287 -3.9465 -3.9465 -3.9438 -3.9438 5.5720 5.5720 5.5723 5.5723 6.0170 6.0170 6.5488 6.5488 6.6191 6.6191 6.6222 6.6222 10.5694 10.5694 10.5869 10.5869 10.5893 10.5893 15.6828 15.6828 15.6844 15.6844 15.8301 15.8301 17.4442 17.4442 17.4460 17.4460 k = 0.4928 0.4928 0.4928 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6812 -24.6812 -22.2428 -22.2428 -22.2428 -22.2428 -22.0340 -22.0340 -5.3737 -5.3737 -5.2371 -5.2371 -5.2335 -5.2335 -5.0384 -5.0384 -3.9479 -3.9479 -3.9472 -3.9472 5.5680 5.5680 5.5681 5.5681 6.0124 6.0124 6.5479 6.5479 6.6196 6.6196 6.6204 6.6204 10.5733 10.5733 10.5915 10.5915 10.5921 10.5921 15.6892 15.6892 15.6896 15.6896 15.8362 15.8362 17.4363 17.4363 17.4369 17.4369 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6813 -24.6813 -22.2428 -22.2428 -22.2428 -22.2428 -22.0340 -22.0340 -5.3727 -5.3727 -5.2328 -5.2328 -5.2328 -5.2328 -5.0419 -5.0419 -3.9484 -3.9484 -3.9484 -3.9484 5.5667 5.5667 5.5667 5.5667 6.0109 6.0109 6.5476 6.5476 6.6198 6.6198 6.6198 6.6198 10.5745 10.5745 10.5930 10.5930 10.5930 10.5930 15.6914 15.6914 15.6914 15.6914 15.8382 15.8382 17.4337 17.4337 17.4337 17.4337 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6813 -24.6813 -22.2428 -22.2428 -22.2428 -22.2428 -22.0340 -22.0340 -5.3727 -5.3727 -5.2328 -5.2328 -5.2328 -5.2328 -5.0419 -5.0419 -3.9484 -3.9484 -3.9484 -3.9484 5.5667 5.5667 5.5667 5.5667 6.0109 6.0109 6.5476 6.5476 6.6198 6.6198 6.6198 6.6198 10.5745 10.5745 10.5930 10.5930 10.5930 10.5930 15.6914 15.6914 15.6914 15.6914 15.8382 15.8382 17.4337 17.4337 17.4337 17.4337 k = 0.4911 0.5000 0.4911 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6812 -24.6812 -22.2428 -22.2428 -22.2428 -22.2428 -22.0340 -22.0340 -5.3737 -5.3737 -5.2370 -5.2370 -5.2337 -5.2337 -5.0384 -5.0384 -3.9479 -3.9479 -3.9473 -3.9473 5.5674 5.5674 5.5688 5.5688 6.0125 6.0125 6.5479 6.5479 6.6195 6.6195 6.6205 6.6205 10.5733 10.5733 10.5914 10.5914 10.5922 10.5922 15.6890 15.6890 15.6898 15.6898 15.8362 15.8362 17.4360 17.4360 17.4371 17.4371 k = 0.4821 0.5000 0.4821 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6811 -24.6811 -22.2428 -22.2428 -22.2426 -22.2426 -22.0341 -22.0341 -5.3767 -5.3767 -5.2485 -5.2485 -5.2362 -5.2362 -5.0285 -5.0285 -3.9463 -3.9463 -3.9438 -3.9438 5.5694 5.5694 5.5750 5.5750 6.0171 6.0171 6.5487 6.5487 6.6187 6.6187 6.6226 6.6226 10.5692 10.5692 10.5865 10.5865 10.5897 10.5897 15.6818 15.6818 15.6852 15.6852 15.8300 15.8300 17.4427 17.4427 17.4464 17.4464 k = 0.4732 0.5000 0.4732 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6810 -24.6810 -22.2427 -22.2427 -22.2422 -22.2422 -22.0342 -22.0342 -5.3817 -5.3817 -5.2657 -5.2657 -5.2405 -5.2405 -5.0142 -5.0142 -3.9437 -3.9437 -3.9382 -3.9382 5.5726 5.5726 5.5855 5.5855 6.0249 6.0249 6.5498 6.5498 6.6176 6.6176 6.6262 6.6262 10.5620 10.5620 10.5785 10.5785 10.5859 10.5859 15.6698 15.6698 15.6774 15.6774 15.8200 15.8200 17.4532 17.4532 17.4607 17.4607 k = 0.4643 0.5000 0.4643 ( 2508 PWs) bands (ev): -48.7485 -48.7485 -24.6808 -24.6808 -22.2425 -22.2425 -22.2417 -22.2417 -22.0344 -22.0344 -5.3889 -5.3889 -5.2866 -5.2866 -5.2462 -5.2462 -4.9970 -4.9970 -3.9401 -3.9401 -3.9305 -3.9305 5.5769 5.5769 5.6000 5.6000 6.0359 6.0359 6.5508 6.5508 6.6165 6.6165 6.6313 6.6313 10.5512 10.5512 10.5677 10.5677 10.5812 10.5812 15.6531 15.6531 15.6667 15.6667 15.8064 15.8064 17.4677 17.4677 17.4801 17.4801 k = 0.4554 0.5000 0.4554 ( 2498 PWs) bands (ev): -48.7484 -48.7484 -24.6805 -24.6805 -22.2424 -22.2424 -22.2411 -22.2411 -22.0345 -22.0345 -5.3985 -5.3985 -5.3097 -5.3097 -5.2535 -5.2535 -4.9782 -4.9782 -3.9355 -3.9355 -3.9207 -3.9207 5.5820 5.5820 5.6187 5.6187 6.0503 6.0503 6.5510 6.5510 6.6161 6.6161 6.6381 6.6381 10.5365 10.5365 10.5544 10.5544 10.5756 10.5756 15.6319 15.6319 15.6530 15.6530 15.7895 15.7895 17.4862 17.4862 17.5046 17.5046 k = 0.4464 0.5000 0.4464 ( 2502 PWs) bands (ev): -48.7484 -48.7484 -24.6802 -24.6802 -22.2422 -22.2422 -22.2403 -22.2403 -22.0348 -22.0348 -5.4109 -5.4109 -5.3338 -5.3338 -5.2620 -5.2620 -4.9587 -4.9587 -3.9299 -3.9299 -3.9091 -3.9091 5.5878 5.5878 5.6415 5.6415 6.0683 6.0683 6.5499 6.5499 6.6170 6.6170 6.6468 6.6468 10.5182 10.5182 10.5386 10.5386 10.5690 10.5690 15.6062 15.6062 15.6364 15.6364 15.7698 15.7698 17.5084 17.5084 17.5338 17.5338 k = 0.4375 0.5000 0.4375 ( 2504 PWs) bands (ev): -48.7485 -48.7485 -24.6799 -24.6799 -22.2420 -22.2420 -22.2395 -22.2395 -22.0350 -22.0350 -5.4269 -5.4269 -5.3573 -5.3573 -5.2719 -5.2719 -4.9389 -4.9389 -3.9235 -3.9235 -3.8958 -3.8958 5.5940 5.5940 5.6682 5.6682 6.0899 6.0899 6.5470 6.5470 6.6197 6.6197 6.6575 6.6575 10.4962 10.4962 10.5207 10.5207 10.5615 10.5615 15.5762 15.5762 15.6171 15.6171 15.7477 15.7477 17.5343 17.5343 17.5672 17.5672 k = 0.4286 0.5000 0.4286 ( 2508 PWs) bands (ev): -48.7486 -48.7486 -24.6795 -24.6795 -22.2418 -22.2418 -22.2385 -22.2385 -22.0353 -22.0353 -5.4474 -5.4474 -5.3791 -5.3791 -5.2828 -5.2828 -4.9190 -4.9190 -3.9161 -3.9161 -3.8809 -3.8809 5.6003 5.6003 5.6989 5.6989 6.1152 6.1152 6.5422 6.5422 6.6243 6.6243 6.6705 6.6705 10.4709 10.4709 10.5006 10.5006 10.5529 10.5529 15.5420 15.5420 15.5954 15.5954 15.7235 15.7235 17.5638 17.5638 17.6045 17.6045 k = 0.4196 0.5000 0.4196 ( 2508 PWs) bands (ev): -48.7486 -48.7486 -24.6790 -24.6790 -22.2415 -22.2415 -22.2374 -22.2374 -22.0356 -22.0356 -5.4726 -5.4726 -5.3985 -5.3985 -5.2947 -5.2947 -4.8994 -4.8994 -3.9080 -3.9080 -3.8647 -3.8647 5.6066 5.6066 5.7335 5.7335 6.1443 6.1443 6.5356 6.5356 6.6307 6.6307 6.6859 6.6859 10.4426 10.4426 10.4786 10.4786 10.5432 10.5432 15.5038 15.5038 15.5713 15.5713 15.6974 15.6974 17.5967 17.5967 17.6454 17.6454 k = 0.4107 0.5000 0.4107 ( 2508 PWs) bands (ev): -48.7486 -48.7486 -24.6785 -24.6785 -22.2413 -22.2413 -22.2361 -22.2361 -22.0359 -22.0359 -5.5019 -5.5019 -5.4157 -5.4157 -5.3075 -5.3075 -4.8802 -4.8802 -3.8992 -3.8992 -3.8474 -3.8474 5.6127 5.6127 5.7719 5.7719 6.1772 6.1772 6.5277 6.5277 6.6386 6.6386 6.7039 6.7039 10.4115 10.4115 10.4546 10.4546 10.5323 10.5323 15.4619 15.4619 15.5451 15.5451 15.6698 15.6698 17.6327 17.6327 17.6893 17.6893 k = 0.4018 0.5000 0.4018 ( 2508 PWs) bands (ev): -48.7486 -48.7486 -24.6779 -24.6779 -22.2410 -22.2410 -22.2347 -22.2347 -22.0363 -22.0363 -5.5344 -5.5344 -5.4314 -5.4314 -5.3211 -5.3211 -4.8614 -4.8614 -3.8896 -3.8896 -3.8292 -3.8292 5.6184 5.6184 5.8141 5.8141 6.2137 6.2137 6.5189 6.5189 6.6479 6.6479 6.7246 6.7246 10.3777 10.3777 10.4288 10.4288 10.5201 10.5201 15.4164 15.4164 15.5171 15.5171 15.6407 15.6407 17.6717 17.6717 17.7360 17.7360 k = 0.3929 0.5000 0.3929 ( 2516 PWs) bands (ev): -48.7488 -48.7488 -24.6774 -24.6774 -22.2408 -22.2408 -22.2333 -22.2333 -22.0366 -22.0366 -5.5693 -5.5693 -5.4462 -5.4462 -5.3354 -5.3354 -4.8432 -4.8432 -3.8794 -3.8794 -3.8102 -3.8102 5.6236 5.6236 5.8598 5.8598 6.2536 6.2536 6.5096 6.5096 6.6583 6.6583 6.7483 6.7483 10.3417 10.3417 10.4014 10.4014 10.5067 10.5067 15.3675 15.3675 15.4875 15.4875 15.6104 15.6104 17.7135 17.7135 17.7850 17.7850 k = 0.3839 0.5000 0.3839 ( 2516 PWs) bands (ev): -48.7488 -48.7488 -24.6767 -24.6767 -22.2406 -22.2406 -22.2317 -22.2317 -22.0369 -22.0369 -5.6059 -5.6059 -5.4603 -5.4603 -5.3504 -5.3504 -4.8256 -4.8256 -3.8687 -3.8687 -3.7906 -3.7906 5.6284 5.6284 5.9091 5.9091 6.2967 6.2967 6.5000 6.5000 6.6698 6.6698 6.7751 6.7751 10.3036 10.3036 10.3725 10.3725 10.4919 10.4919 15.3153 15.3153 15.4565 15.4565 15.5790 15.5790 17.7578 17.7578 17.8360 17.8360 k = 0.3750 0.5000 0.3750 ( 2508 PWs) bands (ev): -48.7488 -48.7488 -24.6760 -24.6760 -22.2404 -22.2404 -22.2299 -22.2299 -22.0372 -22.0372 -5.6440 -5.6440 -5.4739 -5.4739 -5.3659 -5.3659 -4.8086 -4.8086 -3.8575 -3.8575 -3.7706 -3.7706 5.6326 5.6326 5.9617 5.9617 6.3427 6.3427 6.4905 6.4905 6.6823 6.6823 6.8053 6.8053 10.2636 10.2636 10.3422 10.3422 10.4758 10.4758 15.2602 15.2602 15.4244 15.4244 15.5465 15.5465 17.8043 17.8043 17.8887 17.8887 k = 0.3661 0.5000 0.3661 ( 2512 PWs) bands (ev): -48.7489 -48.7489 -24.6753 -24.6753 -22.2402 -22.2402 -22.2282 -22.2282 -22.0375 -22.0375 -5.6832 -5.6832 -5.4870 -5.4870 -5.3820 -5.3820 -4.7922 -4.7922 -3.8459 -3.8459 -3.7504 -3.7504 5.6363 5.6363 6.0177 6.0177 6.3910 6.3910 6.4815 6.4815 6.6958 6.6958 6.8391 6.8391 10.2220 10.2220 10.3107 10.3107 10.4582 10.4582 15.2023 15.2023 15.3913 15.3913 15.5132 15.5132 17.8529 17.8529 17.9427 17.9427 k = 0.3571 0.5000 0.3571 ( 2512 PWs) bands (ev): -48.7489 -48.7489 -24.6745 -24.6745 -22.2401 -22.2401 -22.2263 -22.2263 -22.0377 -22.0377 -5.7234 -5.7234 -5.4997 -5.4997 -5.3984 -5.3984 -4.7765 -4.7765 -3.8340 -3.8340 -3.7301 -3.7301 5.6396 5.6396 6.0768 6.0768 6.4412 6.4412 6.4730 6.4730 6.7104 6.7104 6.8768 6.8768 10.1791 10.1791 10.2780 10.2780 10.4391 10.4391 15.1416 15.1416 15.3575 15.3575 15.4790 15.4790 17.9033 17.9033 17.9978 17.9978 k = 0.3482 0.5000 0.3482 ( 2516 PWs) bands (ev): -48.7490 -48.7490 -24.6738 -24.6738 -22.2399 -22.2399 -22.2243 -22.2243 -22.0379 -22.0379 -5.7644 -5.7644 -5.5119 -5.5119 -5.4150 -5.4150 -4.7614 -4.7614 -3.8218 -3.8218 -3.7100 -3.7100 5.6423 5.6423 6.1389 6.1389 6.4655 6.4655 6.4928 6.4928 6.7260 6.7260 6.9188 6.9188 10.1350 10.1350 10.2442 10.2442 10.4185 10.4185 15.0783 15.0783 15.3232 15.3232 15.4443 15.4443 17.9550 17.9550 18.0535 18.0535 k = 0.3393 0.5000 0.3393 ( 2516 PWs) bands (ev): -48.7491 -48.7491 -24.6729 -24.6729 -22.2399 -22.2399 -22.2223 -22.2223 -22.0381 -22.0381 -5.8060 -5.8060 -5.5236 -5.5236 -5.4318 -5.4318 -4.7470 -4.7470 -3.8093 -3.8093 -3.6901 -3.6901 5.6447 5.6447 6.2038 6.2038 6.4592 6.4592 6.5452 6.5452 6.7427 6.7427 6.9654 6.9654 10.0900 10.0900 10.2095 10.2095 10.3963 10.3963 15.0126 15.0126 15.2885 15.2885 15.4090 15.4090 18.0079 18.0079 18.1096 18.1096 k = 0.3304 0.5000 0.3304 ( 2524 PWs) bands (ev): -48.7493 -48.7493 -24.6721 -24.6721 -22.2399 -22.2399 -22.2202 -22.2202 -22.0382 -22.0382 -5.8481 -5.8481 -5.5350 -5.5350 -5.4484 -5.4484 -4.7332 -4.7332 -3.7968 -3.7968 -3.6706 -3.6706 5.6467 5.6467 6.2713 6.2713 6.4544 6.4544 6.5979 6.5979 6.7605 6.7605 7.0168 7.0168 10.0445 10.0445 10.1739 10.1739 10.3724 10.3724 14.9446 14.9446 15.2536 15.2536 15.3733 15.3733 18.0614 18.0614 18.1657 18.1657 k = 0.3214 0.5000 0.3214 ( 2520 PWs) bands (ev): -48.7493 -48.7493 -24.6712 -24.6712 -22.2399 -22.2399 -22.2179 -22.2179 -22.0383 -22.0383 -5.8906 -5.8906 -5.5461 -5.5461 -5.4647 -5.4647 -4.7201 -4.7201 -3.7842 -3.7842 -3.6516 -3.6516 5.6484 5.6484 6.3411 6.3411 6.4515 6.4515 6.6505 6.6505 6.7794 6.7794 7.0734 7.0734 9.9985 9.9985 10.1373 10.1373 10.3469 10.3469 14.8743 14.8743 15.2187 15.2187 15.3375 15.3375 18.1151 18.1151 18.2216 18.2216 k = 0.3125 0.5000 0.3125 ( 2524 PWs) bands (ev): -48.7494 -48.7494 -24.6703 -24.6703 -22.2400 -22.2400 -22.2157 -22.2157 -22.0383 -22.0383 -5.9334 -5.9334 -5.5573 -5.5573 -5.4803 -5.4803 -4.7077 -4.7077 -3.7717 -3.7717 -3.6333 -3.6333 5.6498 5.6498 6.4118 6.4118 6.4519 6.4519 6.7025 6.7025 6.7996 6.7996 7.1350 7.1350 9.9525 9.9525 10.1000 10.1000 10.3197 10.3197 14.8019 14.8019 15.1839 15.1839 15.3016 15.3016 18.1685 18.1685 18.2769 18.2769 k = 0.3036 0.5000 0.3036 ( 2516 PWs) bands (ev): -48.7493 -48.7493 -24.6694 -24.6694 -22.2401 -22.2401 -22.2133 -22.2133 -22.0382 -22.0382 -5.9763 -5.9763 -5.5688 -5.5688 -5.4948 -5.4948 -4.6959 -4.6959 -3.7592 -3.7592 -3.6157 -3.6157 5.6510 5.6510 6.4473 6.4473 6.4915 6.4915 6.7536 6.7536 6.8212 6.8212 7.2017 7.2017 9.9065 9.9065 10.0619 10.0619 10.2907 10.2907 14.7274 14.7274 15.1494 15.1494 15.2659 15.2659 18.2207 18.2207 18.3313 18.3313 k = 0.2946 0.5000 0.2946 ( 2516 PWs) bands (ev): -48.7494 -48.7494 -24.6684 -24.6684 -22.2403 -22.2403 -22.2110 -22.2110 -22.0380 -22.0380 -6.0192 -6.0192 -5.5811 -5.5811 -5.5077 -5.5077 -4.6848 -4.6848 -3.7469 -3.7469 -3.5988 -3.5988 5.6520 5.6520 6.4519 6.4519 6.5663 6.5663 6.8032 6.8032 6.8450 6.8450 7.2731 7.2731 9.8609 9.8609 10.0229 10.0229 10.2599 10.2599 14.6509 14.6509 15.1153 15.1153 15.2305 15.2305 18.2704 18.2704 18.3845 18.3845 k = 0.2857 0.5000 0.2857 ( 2526 PWs) bands (ev): -48.7496 -48.7496 -24.6675 -24.6675 -22.2406 -22.2406 -22.2086 -22.2086 -22.0378 -22.0378 -6.0620 -6.0620 -5.5945 -5.5945 -5.5185 -5.5185 -4.6744 -4.6744 -3.7349 -3.7349 -3.5829 -3.5829 5.6528 5.6528 6.4576 6.4576 6.6438 6.6438 6.8482 6.8482 6.8742 6.8742 7.3491 7.3491 9.8160 9.8160 9.9832 9.9832 10.2273 10.2273 14.5725 14.5725 15.0817 15.0817 15.1955 15.1955 18.3159 18.3159 18.4346 18.4346 k = 0.2768 0.5000 0.2768 ( 2530 PWs) bands (ev): -48.7497 -48.7497 -24.6666 -24.6666 -22.2410 -22.2410 -22.2061 -22.2061 -22.0375 -22.0375 -6.1047 -6.1047 -5.6091 -5.6091 -5.5270 -5.5270 -4.6646 -4.6646 -3.7231 -3.7231 -3.5679 -3.5679 5.6536 5.6536 6.4659 6.4659 6.7227 6.7227 6.8822 6.8822 6.9154 6.9154 7.4292 7.4292 9.7719 9.7719 9.9427 9.9427 10.1929 10.1929 14.4923 14.4923 15.0488 15.0488 15.1611 15.1611 18.3542 18.3542 18.4577 18.4577 k = 0.2679 0.5000 0.2679 ( 2530 PWs) bands (ev): -48.7498 -48.7498 -24.6656 -24.6656 -22.2415 -22.2415 -22.2036 -22.2036 -22.0371 -22.0371 -6.1470 -6.1470 -5.6248 -5.6248 -5.5332 -5.5332 -4.6555 -4.6555 -3.7118 -3.7118 -3.5538 -3.5538 5.6542 5.6542 6.4769 6.4769 6.8024 6.8024 6.9103 6.9103 6.9638 6.9638 7.5129 7.5129 9.7291 9.7291 9.9013 9.9013 10.1567 10.1567 14.4104 14.4104 15.0166 15.0166 15.1275 15.1275 18.3805 18.3805 18.4705 18.4705 k = 0.2589 0.5000 0.2589 ( 2534 PWs) bands (ev): -48.7499 -48.7499 -24.6646 -24.6646 -22.2420 -22.2420 -22.2011 -22.2011 -22.0367 -22.0367 -6.1889 -6.1889 -5.6416 -5.6416 -5.5372 -5.5372 -4.6471 -4.6471 -3.7009 -3.7009 -3.5406 -3.5406 5.6548 5.6548 6.4907 6.4907 6.8823 6.8823 6.9380 6.9380 7.0146 7.0146 7.5999 7.5999 9.6876 9.6876 9.8591 9.8591 10.1186 10.1186 14.3269 14.3269 14.9853 14.9853 15.0949 15.0949 18.3873 18.3873 18.4777 18.4777 k = 0.2500 0.5000 0.2500 ( 2534 PWs) bands (ev): -48.7500 -48.7500 -24.6636 -24.6636 -22.2426 -22.2426 -22.1986 -22.1986 -22.0361 -22.0361 -6.2304 -6.2304 -5.6590 -5.6590 -5.5393 -5.5393 -4.6394 -4.6394 -3.6905 -3.6905 -3.5284 -3.5284 5.6553 5.6553 6.5077 6.5077 6.9611 6.9611 6.9664 6.9664 7.0675 7.0675 7.6896 7.6896 9.6479 9.6479 9.8161 9.8161 10.0786 10.0786 14.2418 14.2418 14.9550 14.9550 15.0632 15.0632 18.3654 18.3654 18.4797 18.4797 k = 0.2411 0.5000 0.2411 ( 2534 PWs) bands (ev): -48.7501 -48.7501 -24.6626 -24.6626 -22.2432 -22.2432 -22.1961 -22.1961 -22.0355 -22.0355 -6.2712 -6.2712 -5.6768 -5.6768 -5.5396 -5.5396 -4.6324 -4.6324 -3.6808 -3.6808 -3.5171 -3.5171 5.6559 5.6559 6.5277 6.5277 6.9957 6.9957 7.0375 7.0375 7.1234 7.1234 7.7817 7.7817 9.6102 9.6102 9.7721 9.7721 10.0368 10.0368 14.1554 14.1554 14.9258 14.9258 15.0326 15.0326 18.3090 18.3090 18.4776 18.4776 k = 0.2321 0.5000 0.2321 ( 2528 PWs) bands (ev): -48.7501 -48.7501 -24.6616 -24.6616 -22.2439 -22.2439 -22.1936 -22.1936 -22.0348 -22.0348 -6.3114 -6.3114 -5.6949 -5.6949 -5.5384 -5.5384 -4.6261 -4.6261 -3.6718 -3.6718 -3.5067 -3.5067 5.6564 5.6564 6.5510 6.5510 7.0262 7.0262 7.1087 7.1087 7.1847 7.1847 7.8757 7.8757 9.5748 9.5748 9.7271 9.7271 9.9933 9.9933 14.0677 14.0677 14.8978 14.8978 15.0034 15.0034 18.2224 18.2224 18.4723 18.4723 k = 0.2232 0.5000 0.2232 ( 2532 PWs) bands (ev): -48.7502 -48.7502 -24.6607 -24.6607 -22.2447 -22.2447 -22.1911 -22.1911 -22.0341 -22.0341 -6.3507 -6.3507 -5.7130 -5.7130 -5.5357 -5.5357 -4.6205 -4.6205 -3.6635 -3.6635 -3.4971 -3.4971 5.6569 5.6569 6.5775 6.5775 7.0578 7.0578 7.1728 7.1728 7.2526 7.2526 7.9714 7.9714 9.5422 9.5422 9.6811 9.6811 9.9479 9.9479 13.9788 13.9788 14.8710 14.8710 14.9754 14.9754 18.1153 18.1153 18.4640 18.4640 k = 0.2143 0.5000 0.2143 ( 2536 PWs) bands (ev): -48.7503 -48.7503 -24.6597 -24.6597 -22.2455 -22.2455 -22.1886 -22.1886 -22.0333 -22.0333 -6.3893 -6.3893 -5.7310 -5.7310 -5.5317 -5.5317 -4.6157 -4.6157 -3.6562 -3.6562 -3.4882 -3.4882 5.6574 5.6574 6.6074 6.6074 7.0906 7.0906 7.2310 7.2310 7.3256 7.3256 8.0684 8.0684 9.5125 9.5125 9.6341 9.6341 9.9009 9.9009 13.8890 13.8890 14.8456 14.8456 14.9489 14.9489 17.9961 17.9961 18.4528 18.4528 k = 0.2054 0.5000 0.2054 ( 2528 PWs) bands (ev): -48.7503 -48.7503 -24.6588 -24.6588 -22.2463 -22.2463 -22.1861 -22.1861 -22.0324 -22.0324 -6.4268 -6.4268 -5.7488 -5.7488 -5.5265 -5.5265 -4.6117 -4.6117 -3.6497 -3.6497 -3.4799 -3.4799 5.6580 5.6580 6.6405 6.6405 7.1246 7.1246 7.2858 7.2858 7.4007 7.4007 8.1663 8.1663 9.4863 9.4863 9.5860 9.5860 9.8523 9.8523 13.7983 13.7983 14.8216 14.8216 14.9238 14.9238 17.8698 17.8698 18.4390 18.4390 k = 0.1964 0.5000 0.1964 ( 2524 PWs) bands (ev): -48.7503 -48.7503 -24.6578 -24.6578 -22.2472 -22.2472 -22.1837 -22.1837 -22.0315 -22.0315 -6.4634 -6.4634 -5.7663 -5.7663 -5.5201 -5.5201 -4.6085 -4.6085 -3.6443 -3.6443 -3.4721 -3.4721 5.6586 5.6586 6.6770 6.6770 7.1597 7.1597 7.3388 7.3388 7.4756 7.4756 8.2648 8.2648 9.4638 9.4638 9.5369 9.5369 9.8021 9.8021 13.7070 13.7070 14.7990 14.7990 14.9002 14.9002 17.7396 17.7396 18.4226 18.4226 k = 0.1875 0.5000 0.1875 ( 2532 PWs) bands (ev): -48.7505 -48.7505 -24.6569 -24.6569 -22.2482 -22.2482 -22.1813 -22.1813 -22.0306 -22.0306 -6.4988 -6.4988 -5.7835 -5.7835 -5.5126 -5.5126 -4.6060 -4.6060 -3.6399 -3.6399 -3.4649 -3.4649 5.6592 5.6592 6.7167 6.7167 7.1961 7.1961 7.3908 7.3908 7.5487 7.5487 8.3636 8.3636 9.4451 9.4451 9.4870 9.4870 9.7504 9.7504 13.6152 13.6152 14.7778 14.7778 14.8782 14.8782 17.6076 17.6076 18.4038 18.4038 k = 0.1786 0.5000 0.1786 ( 2520 PWs) bands (ev): -48.7504 -48.7504 -24.6560 -24.6560 -22.2491 -22.2491 -22.1790 -22.1790 -22.0296 -22.0296 -6.5331 -6.5331 -5.8003 -5.8003 -5.5041 -5.5041 -4.6044 -4.6044 -3.6365 -3.6365 -3.4580 -3.4580 5.6599 5.6599 6.7596 6.7596 7.2336 7.2336 7.4422 7.4422 7.6192 7.6192 8.4623 8.4623 9.4257 9.4257 9.4411 9.4411 9.6973 9.6973 13.5231 13.5231 14.7582 14.7582 14.8577 14.8577 17.4751 17.4751 18.3825 18.3825 k = 0.1696 0.5000 0.1696 ( 2514 PWs) bands (ev): -48.7504 -48.7504 -24.6551 -24.6551 -22.2500 -22.2500 -22.1767 -22.1767 -22.0286 -22.0286 -6.5661 -6.5661 -5.8165 -5.8165 -5.4947 -5.4947 -4.6035 -4.6035 -3.6341 -3.6341 -3.4514 -3.4514 5.6606 5.6606 6.8057 6.8057 7.2722 7.2722 7.4929 7.4929 7.6862 7.6862 8.5608 8.5608 9.3792 9.3792 9.4261 9.4261 9.6430 9.6430 13.4310 13.4310 14.7401 14.7401 14.8388 14.8388 17.3431 17.3431 18.3582 18.3582 k = 0.1607 0.5000 0.1607 ( 2514 PWs) bands (ev): -48.7504 -48.7504 -24.6543 -24.6543 -22.2510 -22.2510 -22.1745 -22.1745 -22.0276 -22.0276 -6.5979 -6.5979 -5.8323 -5.8323 -5.4845 -5.4845 -4.6035 -4.6035 -3.6328 -3.6328 -3.4451 -3.4451 5.6613 5.6613 6.8548 6.8548 7.3120 7.3120 7.5429 7.5429 7.7491 7.7491 8.6585 8.6585 9.3254 9.3254 9.4224 9.4224 9.5876 9.5876 13.3392 13.3392 14.7235 14.7235 14.8215 14.8215 17.2123 17.2123 18.3288 18.3288 k = 0.1518 0.5000 0.1518 ( 2522 PWs) bands (ev): -48.7506 -48.7506 -24.6535 -24.6535 -22.2520 -22.2520 -22.1724 -22.1724 -22.0266 -22.0266 -6.6283 -6.6283 -5.8474 -5.8474 -5.4735 -5.4735 -4.6043 -4.6043 -3.6324 -3.6324 -3.4390 -3.4390 5.6621 5.6621 6.9068 6.9068 7.3527 7.3527 7.5922 7.5922 7.8071 7.8071 8.7552 8.7552 9.2697 9.2697 9.4248 9.4248 9.5313 9.5313 13.2478 13.2478 14.7084 14.7084 14.8056 14.8056 17.0835 17.0835 18.2919 18.2919 k = 0.1429 0.5000 0.1429 ( 2530 PWs) bands (ev): -48.7508 -48.7508 -24.6528 -24.6528 -22.2530 -22.2530 -22.1704 -22.1704 -22.0256 -22.0256 -6.6572 -6.6572 -5.8619 -5.8619 -5.4618 -5.4618 -4.6058 -4.6058 -3.6329 -3.6329 -3.4331 -3.4331 5.6628 5.6628 6.9616 6.9616 7.3945 7.3945 7.6405 7.6405 7.8599 7.8599 8.8505 8.8505 9.2126 9.2126 9.4330 9.4330 9.4741 9.4741 13.1572 13.1572 14.6947 14.6947 14.7913 14.7913 16.9573 16.9573 18.2507 18.2507 k = 0.1339 0.5000 0.1339 ( 2526 PWs) bands (ev): -48.7508 -48.7508 -24.6520 -24.6520 -22.2540 -22.2540 -22.1684 -22.1684 -22.0246 -22.0246 -6.6847 -6.6847 -5.8757 -5.8757 -5.4496 -5.4496 -4.6081 -4.6081 -3.6341 -3.6341 -3.4274 -3.4274 5.6636 5.6636 7.0191 7.0191 7.4372 7.4372 7.6877 7.6877 7.9072 7.9072 8.9440 8.9440 9.1541 9.1541 9.4163 9.4163 9.4469 9.4469 13.0677 13.0677 14.6825 14.6825 14.7784 14.7784 16.8343 16.8343 18.2094 18.2094 k = 0.1250 0.5000 0.1250 ( 2526 PWs) bands (ev): -48.7508 -48.7508 -24.6513 -24.6513 -22.2549 -22.2549 -22.1666 -22.1666 -22.0237 -22.0237 -6.7106 -6.7106 -5.8888 -5.8888 -5.4370 -5.4370 -4.6111 -4.6111 -3.6360 -3.6360 -3.4219 -3.4219 5.6644 5.6644 7.0791 7.0791 7.4807 7.4807 7.7335 7.7335 7.9489 7.9489 9.0347 9.0347 9.0948 9.0948 9.3581 9.3581 9.4662 9.4662 12.9797 12.9797 14.6716 14.6716 14.7669 14.7669 16.7151 16.7151 18.1695 18.1695 k = 0.1161 0.5000 0.1161 ( 2530 PWs) bands (ev): -48.7509 -48.7509 -24.6507 -24.6507 -22.2558 -22.2558 -22.1648 -22.1648 -22.0227 -22.0227 -6.7350 -6.7350 -5.9011 -5.9011 -5.4241 -5.4241 -4.6147 -4.6147 -3.6385 -3.6385 -3.4167 -3.4167 5.6652 5.6652 7.1414 7.1414 7.5249 7.5249 7.7776 7.7776 7.9851 7.9851 9.0314 9.0314 9.1256 9.1256 9.2997 9.2997 9.4904 9.4904 12.8936 12.8936 14.6621 14.6621 14.7568 14.7568 16.6003 16.6003 18.1315 18.1315 k = 0.1071 0.5000 0.1071 ( 2524 PWs) bands (ev): -48.7509 -48.7509 -24.6500 -24.6500 -22.2567 -22.2567 -22.1631 -22.1631 -22.0218 -22.0218 -6.7577 -6.7577 -5.9126 -5.9126 -5.4110 -5.4110 -4.6190 -4.6190 -3.6413 -3.6413 -3.4117 -3.4117 5.6659 5.6659 7.2058 7.2058 7.5696 7.5696 7.8197 7.8197 8.0160 8.0160 8.9689 8.9689 9.2105 9.2105 9.2419 9.2419 9.5190 9.5190 12.8098 12.8098 14.6537 14.6537 14.7479 14.7479 16.4904 16.4904 18.0958 18.0958 k = 0.0982 0.5000 0.0982 ( 2532 PWs) bands (ev): -48.7510 -48.7510 -24.6495 -24.6495 -22.2576 -22.2576 -22.1616 -22.1616 -22.0209 -22.0209 -6.7788 -6.7788 -5.9234 -5.9234 -5.3980 -5.3980 -4.6237 -4.6237 -3.6445 -3.6445 -3.4070 -3.4070 5.6667 5.6667 7.2722 7.2722 7.6147 7.6147 7.8596 7.8596 8.0421 8.0421 8.9048 8.9048 9.1830 9.1830 9.2937 9.2937 9.5510 9.5510 12.7288 12.7288 14.6465 14.6465 14.7402 14.7402 16.3862 16.3862 18.0623 18.0623 k = 0.0893 0.5000 0.0893 ( 2524 PWs) bands (ev): -48.7510 -48.7510 -24.6489 -24.6489 -22.2583 -22.2583 -22.1601 -22.1601 -22.0201 -22.0201 -6.7982 -6.7982 -5.9333 -5.9333 -5.3851 -5.3851 -4.6288 -4.6288 -3.6478 -3.6478 -3.4026 -3.4026 5.6674 5.6674 7.3402 7.3402 7.6600 7.6600 7.8969 7.8969 8.0640 8.0640 8.8393 8.8393 9.1257 9.1257 9.3719 9.3719 9.5856 9.5856 12.6511 12.6511 14.6404 14.6404 14.7335 14.7335 16.2882 16.2882 18.0314 18.0314 k = 0.0804 0.5000 0.0804 ( 2524 PWs) bands (ev): -48.7510 -48.7510 -24.6484 -24.6484 -22.2590 -22.2590 -22.1588 -22.1588 -22.0193 -22.0193 -6.8158 -6.8158 -5.9423 -5.9423 -5.3725 -5.3725 -4.6341 -4.6341 -3.6511 -3.6511 -3.3986 -3.3986 5.6681 5.6681 7.4097 7.4097 7.7050 7.7050 7.9311 7.9311 8.0823 8.0823 8.7726 8.7726 9.0695 9.0695 9.4453 9.4453 9.6218 9.6218 12.5774 12.5774 14.6352 14.6352 14.7279 14.7279 16.1970 16.1970 18.0031 18.0031 k = 0.0714 0.5000 0.0714 ( 2528 PWs) bands (ev): -48.7511 -48.7511 -24.6480 -24.6480 -22.2597 -22.2597 -22.1577 -22.1577 -22.0186 -22.0186 -6.8317 -6.8317 -5.9504 -5.9504 -5.3605 -5.3605 -4.6396 -4.6396 -3.6544 -3.6544 -3.3949 -3.3949 5.6687 5.6687 7.4803 7.4803 7.7494 7.7494 7.9619 7.9619 8.0976 8.0976 8.7049 8.7049 9.0148 9.0148 9.5132 9.5132 9.6587 9.6587 12.5083 12.5083 14.6309 14.6309 14.7232 14.7232 16.1132 16.1132 17.9775 17.9775 k = 0.0625 0.5000 0.0625 ( 2538 PWs) bands (ev): -48.7513 -48.7513 -24.6476 -24.6476 -22.2603 -22.2603 -22.1567 -22.1567 -22.0180 -22.0180 -6.8458 -6.8458 -5.9576 -5.9576 -5.3493 -5.3493 -4.6450 -4.6450 -3.6575 -3.6575 -3.3916 -3.3916 5.6693 5.6693 7.5517 7.5517 7.7928 7.7928 7.9890 7.9890 8.1107 8.1107 8.6363 8.6363 8.9623 8.9623 9.5747 9.5747 9.6953 9.6953 12.4445 12.4445 14.6274 14.6274 14.7193 14.7193 16.0376 16.0376 17.9547 17.9547 k = 0.0536 0.5000 0.0536 ( 2538 PWs) bands (ev): -48.7513 -48.7513 -24.6473 -24.6473 -22.2609 -22.2609 -22.1557 -22.1557 -22.0175 -22.0175 -6.8580 -6.8580 -5.9639 -5.9639 -5.3390 -5.3390 -4.6502 -4.6502 -3.6604 -3.6604 -3.3886 -3.3886 5.6698 5.6698 7.6236 7.6236 7.8344 7.8344 8.0118 8.0118 8.1221 8.1221 8.5670 8.5670 8.9127 8.9127 9.6288 9.6288 9.7308 9.7308 12.3869 12.3869 14.6246 14.6246 14.7161 14.7161 15.9705 15.9705 17.9348 17.9348 k = 0.0446 0.5000 0.0446 ( 2538 PWs) bands (ev): -48.7513 -48.7513 -24.6470 -24.6470 -22.2613 -22.2613 -22.1549 -22.1549 -22.0170 -22.0170 -6.8684 -6.8684 -5.9692 -5.9692 -5.3298 -5.3298 -4.6549 -4.6549 -3.6629 -3.6629 -3.3861 -3.3861 5.6702 5.6702 7.6953 7.6953 7.8735 7.8735 8.0304 8.0304 8.1322 8.1322 8.4976 8.4976 8.8670 8.8670 9.6747 9.6747 9.7643 9.7643 12.3362 12.3362 14.6223 14.6223 14.7136 14.7136 15.9128 15.9128 17.9178 17.9178 k = 0.0357 0.5000 0.0357 ( 2542 PWs) bands (ev): -48.7514 -48.7514 -24.6468 -24.6468 -22.2617 -22.2617 -22.1543 -22.1543 -22.0166 -22.0166 -6.8769 -6.8769 -5.9736 -5.9736 -5.3220 -5.3220 -4.6592 -4.6592 -3.6651 -3.6651 -3.3841 -3.3841 5.6706 5.6706 7.7659 7.7659 7.9090 7.9090 8.0446 8.0446 8.1411 8.1411 8.4288 8.4288 8.8264 8.8264 9.7119 9.7119 9.7947 9.7947 12.2932 12.2932 14.6206 14.6206 14.7117 14.7117 15.8647 15.8647 17.9039 17.9039 k = 0.0268 0.5000 0.0268 ( 2540 PWs) bands (ev): -48.7514 -48.7514 -24.6466 -24.6466 -22.2620 -22.2620 -22.1538 -22.1538 -22.0163 -22.0163 -6.8835 -6.8835 -5.9771 -5.9771 -5.3157 -5.3157 -4.6626 -4.6626 -3.6668 -3.6668 -3.3825 -3.3825 5.6709 5.6709 7.8336 7.8336 7.9401 7.9401 8.0545 8.0545 8.1487 8.1487 8.3618 8.3618 8.7922 8.7922 9.7404 9.7404 9.8205 9.8205 12.2588 12.2588 14.6193 14.6193 14.7102 14.7102 15.8268 15.8268 17.8929 17.8929 k = 0.0179 0.5000 0.0179 ( 2548 PWs) bands (ev): -48.7515 -48.7515 -24.6465 -24.6465 -22.2622 -22.2622 -22.1535 -22.1535 -22.0161 -22.0161 -6.8883 -6.8883 -5.9795 -5.9795 -5.3110 -5.3110 -4.6652 -4.6652 -3.6681 -3.6681 -3.3813 -3.3813 5.6711 5.6711 7.8942 7.8942 7.9668 7.9668 8.0605 8.0605 8.1545 8.1545 8.2998 8.2998 8.7662 8.7662 9.7604 9.7604 9.8403 9.8403 12.2337 12.2337 14.6184 14.6184 14.7092 14.7092 15.7995 15.7995 17.8851 17.8851 k = 0.0089 0.5000 0.0089 ( 2560 PWs) bands (ev): -48.7516 -48.7516 -24.6465 -24.6465 -22.2624 -22.2624 -22.1533 -22.1533 -22.0160 -22.0160 -6.8912 -6.8912 -5.9810 -5.9810 -5.3082 -5.3082 -4.6668 -4.6668 -3.6689 -3.6689 -3.3806 -3.3806 5.6712 5.6712 7.9371 7.9371 7.9909 7.9909 8.0623 8.0623 8.1582 8.1582 8.2502 8.2502 8.7497 8.7497 9.7723 9.7723 9.8527 9.8527 12.2183 12.2183 14.6179 14.6179 14.7087 14.7087 15.7830 15.7830 17.8804 17.8804 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -48.7516 -48.7516 -24.6464 -24.6464 -22.2624 -22.2624 -22.1533 -22.1533 -22.0159 -22.0159 -6.8921 -6.8921 -5.9815 -5.9815 -5.3073 -5.3073 -4.6674 -4.6674 -3.6692 -3.6692 -3.3804 -3.3804 5.6713 5.6713 7.9513 7.9513 8.0049 8.0049 8.0615 8.0615 8.1595 8.1595 8.2294 8.2294 8.7441 8.7441 9.7762 9.7762 9.8570 9.8570 12.2132 12.2132 14.6178 14.6178 14.7085 14.7085 15.7774 15.7774 17.8788 17.8788 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): -48.7501 -48.7501 -24.6638 -24.6638 -22.2474 -22.2474 -22.1818 -22.1818 -22.0484 -22.0484 -6.2238 -6.2238 -5.7999 -5.7999 -5.6768 -5.6768 -4.4372 -4.4372 -3.5347 -3.5347 -3.4361 -3.4361 5.5503 5.5503 5.7699 5.7699 5.8274 5.8274 7.5475 7.5475 7.5625 7.5625 9.0613 9.0613 9.0673 9.0673 9.1081 9.1081 10.5098 10.5098 14.6454 14.6454 14.7283 14.7283 15.4646 15.4646 16.9154 16.9154 18.4909 18.4909 k = 0.5000 0.5000 0.0125 ( 2520 PWs) bands (ev): -48.7498 -48.7498 -24.6637 -24.6637 -22.2473 -22.2473 -22.1818 -22.1818 -22.0483 -22.0483 -6.2225 -6.2225 -5.7994 -5.7994 -5.6764 -5.6764 -4.4378 -4.4378 -3.5353 -3.5353 -3.4368 -3.4368 5.5503 5.5503 5.7700 5.7700 5.8286 5.8286 7.5447 7.5447 7.5595 7.5595 9.0652 9.0652 9.0692 9.0692 9.1029 9.1029 10.5099 10.5099 14.6466 14.6466 14.7294 14.7294 15.4651 15.4651 16.9222 16.9222 18.4906 18.4906 k = 0.5000 0.5000 0.0250 ( 2520 PWs) bands (ev): -48.7498 -48.7498 -24.6638 -24.6638 -22.2473 -22.2473 -22.1821 -22.1821 -22.0483 -22.0483 -6.2187 -6.2187 -5.7979 -5.7979 -5.6751 -5.6751 -4.4396 -4.4396 -3.5371 -3.5371 -3.4388 -3.4388 5.5504 5.5504 5.7702 5.7702 5.8321 5.8321 7.5364 7.5364 7.5505 7.5505 9.0663 9.0663 9.0767 9.0767 9.0961 9.0961 10.5103 10.5103 14.6500 14.6500 14.7327 14.7327 15.4665 15.4665 16.9425 16.9425 18.4897 18.4897 k = 0.5000 0.5000 0.0375 ( 2520 PWs) bands (ev): -48.7498 -48.7498 -24.6640 -24.6640 -22.2473 -22.2473 -22.1826 -22.1826 -22.0482 -22.0482 -6.2123 -6.2123 -5.7955 -5.7955 -5.6729 -5.6729 -4.4425 -4.4425 -3.5402 -3.5402 -3.4422 -3.4422 5.5505 5.5505 5.7706 5.7706 5.8380 5.8380 7.5230 7.5230 7.5358 7.5358 9.0384 9.0384 9.0955 9.0955 9.1078 9.1078 10.5109 10.5109 14.6556 14.6556 14.7383 14.7383 15.4687 15.4687 16.9758 16.9758 18.4884 18.4884 k = 0.5000 0.5000 0.0500 ( 2520 PWs) bands (ev): -48.7498 -48.7498 -24.6641 -24.6641 -22.2472 -22.2472 -22.1832 -22.1832 -22.0480 -22.0480 -6.2034 -6.2034 -5.7921 -5.7921 -5.6699 -5.6699 -4.4467 -4.4467 -3.5445 -3.5445 -3.4469 -3.4469 5.5507 5.5507 5.7711 5.7711 5.8461 5.8461 7.5047 7.5047 7.5160 7.5160 8.9929 8.9929 9.1211 9.1211 9.1307 9.1307 10.5117 10.5117 14.6635 14.6635 14.7460 14.7460 15.4719 15.4719 17.0211 17.0211 18.4871 18.4871 k = 0.5000 0.5000 0.0625 ( 2528 PWs) bands (ev): -48.7499 -48.7499 -24.6644 -24.6644 -22.2472 -22.2472 -22.1841 -22.1841 -22.0478 -22.0478 -6.1921 -6.1921 -5.7877 -5.7877 -5.6661 -5.6661 -4.4520 -4.4520 -3.5499 -3.5499 -3.4529 -3.4529 5.5510 5.5510 5.7717 5.7717 5.8565 5.8565 7.4822 7.4822 7.4915 7.4915 8.9343 8.9343 9.1528 9.1528 9.1604 9.1604 10.5127 10.5127 14.6737 14.6737 14.7559 14.7559 15.4759 15.4759 17.0773 17.0773 18.4864 18.4864 k = 0.5000 0.5000 0.0750 ( 2520 PWs) bands (ev): -48.7498 -48.7498 -24.6647 -24.6647 -22.2471 -22.2471 -22.1851 -22.1851 -22.0476 -22.0476 -6.1783 -6.1783 -5.7824 -5.7824 -5.6614 -5.6614 -4.4584 -4.4584 -3.5565 -3.5565 -3.4602 -3.4602 5.5512 5.5512 5.7725 5.7725 5.8691 5.8691 7.4560 7.4560 7.4631 7.4631 8.8642 8.8642 9.1900 9.1900 9.1957 9.1957 10.5140 10.5140 14.6860 14.6860 14.7681 14.7681 15.4807 15.4807 17.1429 17.1429 18.4871 18.4871 k = 0.5000 0.5000 0.0875 ( 2528 PWs) bands (ev): -48.7499 -48.7499 -24.6650 -24.6650 -22.2470 -22.2470 -22.1863 -22.1863 -22.0473 -22.0473 -6.1621 -6.1621 -5.7761 -5.7761 -5.6558 -5.6558 -4.4660 -4.4660 -3.5642 -3.5642 -3.4687 -3.4687 5.5516 5.5516 5.7733 5.7733 5.8837 5.8837 7.4267 7.4267 7.4315 7.4315 8.7835 8.7835 9.2320 9.2320 9.2359 9.2359 10.5154 10.5154 14.7005 14.7005 14.7823 14.7823 15.4864 15.4864 17.2158 17.2158 18.4902 18.4902 k = 0.5000 0.5000 0.1000 ( 2528 PWs) bands (ev): -48.7498 -48.7498 -24.6654 -24.6654 -22.2469 -22.2469 -22.1877 -22.1877 -22.0470 -22.0470 -6.1437 -6.1437 -5.7689 -5.7689 -5.6495 -5.6495 -4.4746 -4.4746 -3.5730 -3.5730 -3.4785 -3.4785 5.5519 5.5519 5.7743 5.7743 5.9004 5.9004 7.3948 7.3948 7.3972 7.3972 8.6935 8.6935 9.2780 9.2780 9.2800 9.2800 10.5171 10.5171 14.7171 14.7171 14.7987 14.7987 15.4928 15.4928 17.2936 17.2936 18.4973 18.4973 k = 0.5000 0.5000 0.1125 ( 2528 PWs) bands (ev): -48.7498 -48.7498 -24.6658 -24.6658 -22.2468 -22.2468 -22.1892 -22.1892 -22.0467 -22.0467 -6.1231 -6.1231 -5.7607 -5.7607 -5.6424 -5.6424 -4.4843 -4.4843 -3.5828 -3.5828 -3.4894 -3.4894 5.5523 5.5523 5.7754 5.7754 5.9190 5.9190 7.3609 7.3609 7.3610 7.3610 8.5952 8.5952 9.3274 9.3274 9.3277 9.3277 10.5189 10.5189 14.7359 14.7359 14.8172 14.8172 15.4999 15.4999 17.3736 17.3736 18.5102 18.5102 k = 0.5000 0.5000 0.1250 ( 2520 PWs) bands (ev): -48.7497 -48.7497 -24.6662 -24.6662 -22.2467 -22.2467 -22.1909 -22.1909 -22.0463 -22.0463 -6.1003 -6.1003 -5.7516 -5.7516 -5.6344 -5.6344 -4.4950 -4.4950 -3.5936 -3.5936 -3.5015 -3.5015 5.5528 5.5528 5.7765 5.7765 5.9394 5.9394 7.3231 7.3231 7.3258 7.3258 8.4896 8.4896 9.3782 9.3782 9.3796 9.3796 10.5209 10.5209 14.7567 14.7567 14.8377 14.8377 15.5078 15.5078 17.4522 17.4522 18.5315 18.5315 k = 0.5000 0.5000 0.1375 ( 2528 PWs) bands (ev): -48.7497 -48.7497 -24.6668 -24.6668 -22.2466 -22.2466 -22.1927 -22.1927 -22.0459 -22.0459 -6.0756 -6.0756 -5.7416 -5.7416 -5.6258 -5.6258 -4.5068 -4.5068 -3.6052 -3.6052 -3.5146 -3.5146 5.5533 5.5533 5.7777 5.7777 5.9614 5.9614 7.2842 7.2842 7.2894 7.2894 8.3779 8.3779 9.4310 9.4310 9.4340 9.4340 10.5231 10.5231 14.7796 14.7796 14.8603 14.8603 15.5162 15.5162 17.5259 17.5259 18.5638 18.5638 k = 0.5000 0.5000 0.1500 ( 2524 PWs) bands (ev): -48.7497 -48.7497 -24.6673 -24.6673 -22.2464 -22.2464 -22.1946 -22.1946 -22.0454 -22.0454 -6.0490 -6.0490 -5.7307 -5.7307 -5.6164 -5.6164 -4.5195 -4.5195 -3.6177 -3.6177 -3.5288 -3.5288 5.5538 5.5538 5.7789 5.7789 5.9850 5.9850 7.2446 7.2446 7.2524 7.2524 8.2610 8.2610 9.4856 9.4856 9.4902 9.4902 10.5255 10.5255 14.8044 14.8044 14.8848 14.8848 15.5253 15.5253 17.5909 17.5909 18.6098 18.6098 k = 0.5000 0.5000 0.1625 ( 2524 PWs) bands (ev): -48.7496 -48.7496 -24.6679 -24.6679 -22.2463 -22.2463 -22.1966 -22.1966 -22.0449 -22.0449 -6.0207 -6.0207 -5.7189 -5.7189 -5.6062 -5.6062 -4.5331 -4.5331 -3.6310 -3.6310 -3.5439 -3.5439 5.5543 5.5543 5.7801 5.7801 6.0100 6.0100 7.2048 7.2048 7.2151 7.2151 8.1401 8.1401 9.5416 9.5416 9.5476 9.5476 10.5280 10.5280 14.8311 14.8311 14.9112 14.9112 15.5349 15.5349 17.6444 17.6444 18.6716 18.6716 k = 0.5000 0.5000 0.1750 ( 2524 PWs) bands (ev): -48.7496 -48.7496 -24.6685 -24.6685 -22.2461 -22.2461 -22.1987 -22.1987 -22.0445 -22.0445 -5.9908 -5.9908 -5.7063 -5.7063 -5.5954 -5.5954 -4.5476 -4.5476 -3.6449 -3.6449 -3.5599 -3.5599 5.5549 5.5549 5.7812 5.7812 6.0362 6.0362 7.1650 7.1650 7.1777 7.1777 8.0160 8.0160 9.5986 9.5986 9.6059 9.6059 10.5306 10.5306 14.8596 14.8596 14.9395 14.9395 15.5449 15.5449 17.6847 17.6847 18.7498 18.7498 k = 0.5000 0.5000 0.1875 ( 2520 PWs) bands (ev): -48.7495 -48.7495 -24.6691 -24.6691 -22.2460 -22.2460 -22.2009 -22.2009 -22.0439 -22.0439 -5.9595 -5.9595 -5.6928 -5.6928 -5.5840 -5.5840 -4.5629 -4.5629 -3.6594 -3.6594 -3.5766 -3.5766 5.5555 5.5555 5.7823 5.7823 6.0635 6.0635 7.1255 7.1255 7.1406 7.1406 7.8896 7.8896 9.6562 9.6562 9.6646 9.6646 10.5333 10.5333 14.8899 14.8899 14.9695 14.9695 15.5554 15.5554 17.7120 17.7120 18.8436 18.8436 k = 0.5000 0.5000 0.2000 ( 2512 PWs) bands (ev): -48.7493 -48.7493 -24.6697 -24.6697 -22.2457 -22.2457 -22.2031 -22.2031 -22.0434 -22.0434 -5.9269 -5.9269 -5.6785 -5.6785 -5.5719 -5.5719 -4.5790 -4.5790 -3.6744 -3.6744 -3.5942 -3.5942 5.5561 5.5561 5.7834 5.7834 6.0917 6.0917 7.0865 7.0865 7.1039 7.1039 7.7620 7.7620 9.7141 9.7141 9.7235 9.7235 10.5361 10.5361 14.9219 14.9219 15.0012 15.0012 15.5662 15.5662 17.7276 17.7276 18.9384 18.9384 k = 0.5000 0.5000 0.2125 ( 2520 PWs) bands (ev): -48.7494 -48.7494 -24.6704 -24.6704 -22.2456 -22.2456 -22.2055 -22.2055 -22.0429 -22.0429 -5.8933 -5.8933 -5.6634 -5.6634 -5.5592 -5.5592 -4.5959 -4.5959 -3.6899 -3.6899 -3.6123 -3.6123 5.5567 5.5567 5.7842 5.7842 6.1206 6.1206 7.0482 7.0482 7.0678 7.0678 7.6338 7.6338 9.7719 9.7719 9.7822 9.7822 10.5390 10.5390 14.9555 14.9555 15.0345 15.0345 15.5773 15.5773 17.7334 17.7334 18.8449 18.8449 k = 0.5000 0.5000 0.2250 ( 2520 PWs) bands (ev): -48.7493 -48.7493 -24.6710 -24.6710 -22.2454 -22.2454 -22.2079 -22.2079 -22.0423 -22.0423 -5.8588 -5.8588 -5.6475 -5.6475 -5.5459 -5.5459 -4.6135 -4.6135 -3.7057 -3.7057 -3.6311 -3.6311 5.5573 5.5573 5.7849 5.7849 6.1501 6.1501 7.0107 7.0107 7.0325 7.0325 7.5059 7.5059 9.8293 9.8293 9.8405 9.8405 10.5420 10.5420 14.9905 14.9905 15.0692 15.0692 15.5886 15.5886 17.7316 17.7316 18.7514 18.7514 k = 0.5000 0.5000 0.2375 ( 2520 PWs) bands (ev): -48.7493 -48.7493 -24.6717 -24.6717 -22.2453 -22.2453 -22.2102 -22.2102 -22.0418 -22.0418 -5.8237 -5.8237 -5.6308 -5.6308 -5.5321 -5.5321 -4.6318 -4.6318 -3.7218 -3.7218 -3.6502 -3.6502 5.5580 5.5580 5.7852 5.7852 6.1799 6.1799 6.9743 6.9743 6.9981 6.9981 7.3791 7.3791 9.8861 9.8861 9.8980 9.8980 10.5450 10.5450 15.0269 15.0269 15.1053 15.1053 15.6001 15.6001 17.7238 17.7238 18.6587 18.6587 k = 0.5000 0.5000 0.2500 ( 2504 PWs) bands (ev): -48.7490 -48.7490 -24.6723 -24.6723 -22.2450 -22.2450 -22.2126 -22.2126 -22.0412 -22.0412 -5.7882 -5.7882 -5.6134 -5.6134 -5.5178 -5.5178 -4.6507 -4.6507 -3.7379 -3.7379 -3.6698 -3.6698 5.5586 5.5586 5.7853 5.7853 6.2100 6.2100 6.9391 6.9391 6.9648 6.9648 7.2541 7.2541 9.9420 9.9420 9.9545 9.9545 10.5480 10.5480 15.0645 15.0645 15.1425 15.1425 15.6118 15.6118 17.7118 17.7118 18.5673 18.5673 k = 0.5000 0.5000 0.2625 ( 2504 PWs) bands (ev): -48.7490 -48.7490 -24.6730 -24.6730 -22.2449 -22.2449 -22.2150 -22.2150 -22.0406 -22.0406 -5.7526 -5.7526 -5.5953 -5.5953 -5.5030 -5.5030 -4.6702 -4.6702 -3.7542 -3.7542 -3.6896 -3.6896 5.5592 5.5592 5.7849 5.7849 6.2400 6.2400 6.9052 6.9052 6.9324 6.9324 7.1317 7.1317 9.9968 9.9968 10.0097 10.0097 10.5511 10.5511 15.1032 15.1032 15.1808 15.1808 15.6234 15.6234 17.6965 17.6965 18.4775 18.4775 k = 0.5000 0.5000 0.2750 ( 2512 PWs) bands (ev): -48.7490 -48.7490 -24.6738 -24.6738 -22.2447 -22.2447 -22.2174 -22.2174 -22.0401 -22.0401 -5.7171 -5.7171 -5.5766 -5.5766 -5.4878 -5.4878 -4.6903 -4.6903 -3.7703 -3.7703 -3.7095 -3.7095 5.5599 5.5599 5.7839 5.7839 6.2698 6.2698 6.8726 6.8726 6.9008 6.9008 7.0130 7.0130 10.0502 10.0502 10.0635 10.0635 10.5541 10.5541 15.1428 15.1428 15.2200 15.2200 15.6351 15.6351 17.6790 17.6790 18.3896 18.3896 k = 0.5000 0.5000 0.2875 ( 2504 PWs) bands (ev): -48.7489 -48.7489 -24.6744 -24.6744 -22.2445 -22.2445 -22.2197 -22.2197 -22.0395 -22.0395 -5.6820 -5.6820 -5.5573 -5.5573 -5.4721 -5.4721 -4.7109 -4.7109 -3.7863 -3.7863 -3.7295 -3.7295 5.5605 5.5605 5.7823 5.7823 6.2992 6.2992 6.8415 6.8415 6.8665 6.8665 6.9022 6.9022 10.1021 10.1021 10.1156 10.1156 10.5571 10.5571 15.1831 15.1831 15.2597 15.2597 15.6468 15.6468 17.6600 17.6600 18.3037 18.3037 k = 0.5000 0.5000 0.3000 ( 2512 PWs) bands (ev): -48.7489 -48.7489 -24.6751 -24.6751 -22.2444 -22.2444 -22.2220 -22.2220 -22.0390 -22.0390 -5.6476 -5.6476 -5.5373 -5.5373 -5.4560 -5.4560 -4.7319 -4.7319 -3.8021 -3.8021 -3.7494 -3.7494 5.5611 5.5611 5.7797 5.7797 6.3281 6.3281 6.7815 6.7815 6.8119 6.8119 6.8480 6.8480 10.1521 10.1521 10.1659 10.1659 10.5600 10.5600 15.2239 15.2239 15.2999 15.2999 15.6584 15.6584 17.6402 17.6402 18.2202 18.2202 k = 0.5000 0.5000 0.3125 ( 2504 PWs) bands (ev): -48.7488 -48.7488 -24.6757 -24.6757 -22.2442 -22.2442 -22.2242 -22.2242 -22.0384 -22.0384 -5.6143 -5.6143 -5.5168 -5.5168 -5.4394 -5.4394 -4.7534 -4.7534 -3.8175 -3.8175 -3.7691 -3.7691 5.5617 5.5617 5.7761 5.7761 6.3562 6.3562 6.6773 6.6773 6.7839 6.7839 6.8198 6.8198 10.2001 10.2001 10.2141 10.2141 10.5629 10.5629 15.2651 15.2651 15.3403 15.3403 15.6699 15.6699 17.6200 17.6200 18.1391 18.1391 k = 0.5000 0.5000 0.3250 ( 2512 PWs) bands (ev): -48.7488 -48.7488 -24.6764 -24.6764 -22.2441 -22.2441 -22.2264 -22.2264 -22.0379 -22.0379 -5.5824 -5.5824 -5.4958 -5.4958 -5.4223 -5.4223 -4.7752 -4.7752 -3.8325 -3.8325 -3.7885 -3.7885 5.5623 5.5623 5.7712 5.7712 6.3833 6.3833 6.5780 6.5780 6.7577 6.7577 6.7942 6.7942 10.2460 10.2460 10.2600 10.2600 10.5657 10.5657 15.3064 15.3064 15.3804 15.3804 15.6813 15.6813 17.5998 17.5998 18.0609 18.0609 k = 0.5000 0.5000 0.3375 ( 2512 PWs) bands (ev): -48.7488 -48.7488 -24.6770 -24.6770 -22.2439 -22.2439 -22.2285 -22.2285 -22.0374 -22.0374 -5.5523 -5.5523 -5.4744 -5.4744 -5.4048 -5.4048 -4.7974 -4.7974 -3.8469 -3.8469 -3.8073 -3.8073 5.5628 5.5628 5.7646 5.7646 6.4093 6.4093 6.4852 6.4852 6.7332 6.7332 6.7705 6.7705 10.2895 10.2895 10.3035 10.3035 10.5684 10.5684 15.3475 15.3475 15.4201 15.4201 15.6928 15.6928 17.5799 17.5799 17.9856 17.9856 k = 0.5000 0.5000 0.3500 ( 2512 PWs) bands (ev): -48.7487 -48.7487 -24.6776 -24.6776 -22.2438 -22.2438 -22.2305 -22.2305 -22.0370 -22.0370 -5.5242 -5.5242 -5.4526 -5.4526 -5.3869 -5.3869 -4.8198 -4.8198 -3.8607 -3.8607 -3.8256 -3.8256 5.5634 5.5634 5.7559 5.7559 6.3998 6.3998 6.4338 6.4338 6.7105 6.7105 6.7485 6.7485 10.3305 10.3305 10.3445 10.3445 10.5710 10.5710 15.3880 15.3880 15.4589 15.4589 15.7042 15.7042 17.5606 17.5606 17.9136 17.9136 k = 0.5000 0.5000 0.3625 ( 2512 PWs) bands (ev): -48.7487 -48.7487 -24.6781 -24.6781 -22.2436 -22.2436 -22.2323 -22.2323 -22.0365 -22.0365 -5.4986 -5.4986 -5.4305 -5.4305 -5.3685 -5.3685 -4.8424 -4.8424 -3.8737 -3.8737 -3.8431 -3.8431 5.5639 5.5639 5.7448 5.7448 6.3229 6.3229 6.4569 6.4569 6.6898 6.6898 6.7282 6.7282 10.3688 10.3688 10.3827 10.3827 10.5735 10.5735 15.4278 15.4278 15.4962 15.4962 15.7157 15.7157 17.5421 17.5421 17.8451 17.8451 k = 0.5000 0.5000 0.3750 ( 2512 PWs) bands (ev): -48.7487 -48.7487 -24.6786 -24.6786 -22.2435 -22.2435 -22.2341 -22.2341 -22.0361 -22.0361 -5.4754 -5.4754 -5.4082 -5.4082 -5.3500 -5.3500 -4.8652 -4.8652 -3.8859 -3.8859 -3.8597 -3.8597 5.5643 5.5643 5.7309 5.7309 6.2550 6.2550 6.4781 6.4781 6.6711 6.6711 6.7095 6.7095 10.4042 10.4042 10.4181 10.4181 10.5758 10.5758 15.4664 15.4664 15.5316 15.5316 15.7275 15.7275 17.5247 17.5247 17.7805 17.7805 k = 0.5000 0.5000 0.3875 ( 2496 PWs) bands (ev): -48.7484 -48.7484 -24.6790 -24.6790 -22.2433 -22.2433 -22.2356 -22.2356 -22.0357 -22.0357 -5.4549 -5.4549 -5.3857 -5.3857 -5.3316 -5.3316 -4.8880 -4.8880 -3.8972 -3.8972 -3.8753 -3.8753 5.5648 5.5648 5.7140 5.7140 6.1966 6.1966 6.4972 6.4972 6.6547 6.6547 6.6926 6.6926 10.4367 10.4367 10.4506 10.4506 10.5780 10.5780 15.5035 15.5035 15.5644 15.5644 15.7398 15.7398 17.5085 17.5085 17.7201 17.7201 k = 0.5000 0.5000 0.4000 ( 2504 PWs) bands (ev): -48.7485 -48.7485 -24.6795 -24.6795 -22.2432 -22.2432 -22.2371 -22.2371 -22.0354 -22.0354 -5.4369 -5.4369 -5.3633 -5.3633 -5.3137 -5.3137 -4.9108 -4.9108 -3.9076 -3.9076 -3.8897 -3.8897 5.5651 5.5651 5.6944 5.6944 6.1481 6.1481 6.5140 6.5140 6.6406 6.6406 6.6774 6.6774 10.4661 10.4661 10.4799 10.4799 10.5800 10.5800 15.5386 15.5386 15.5939 15.5939 15.7528 15.7528 17.4937 17.4937 17.6642 17.6642 k = 0.5000 0.5000 0.4125 ( 2496 PWs) bands (ev): -48.7484 -48.7484 -24.6799 -24.6799 -22.2431 -22.2431 -22.2383 -22.2383 -22.0351 -22.0351 -5.4214 -5.4214 -5.3410 -5.3410 -5.2966 -5.2966 -4.9332 -4.9332 -3.9169 -3.9169 -3.9028 -3.9028 5.5655 5.5655 5.6727 5.6727 6.1088 6.1088 6.5278 6.5278 6.6294 6.6294 6.6640 6.6640 10.4922 10.4922 10.5060 10.5060 10.5819 10.5819 15.5712 15.5712 15.6195 15.6195 15.7665 15.7665 17.4803 17.4803 17.6133 17.6133 k = 0.5000 0.5000 0.4250 ( 2504 PWs) bands (ev): -48.7484 -48.7484 -24.6802 -24.6802 -22.2431 -22.2431 -22.2395 -22.2395 -22.0348 -22.0348 -5.4082 -5.4082 -5.3192 -5.3192 -5.2809 -5.2809 -4.9552 -4.9552 -3.9251 -3.9251 -3.9145 -3.9145 5.5658 5.5658 5.6501 5.6501 6.0781 6.0781 6.5384 6.5384 6.6213 6.6213 6.6523 6.6523 10.5149 10.5149 10.5289 10.5289 10.5837 10.5837 15.6009 15.6009 15.6408 15.6408 15.7808 15.7808 17.4685 17.4685 17.5678 17.5678 k = 0.5000 0.5000 0.4375 ( 2504 PWs) bands (ev): -48.7484 -48.7484 -24.6805 -24.6805 -22.2430 -22.2430 -22.2405 -22.2405 -22.0346 -22.0346 -5.3972 -5.3972 -5.2981 -5.2981 -5.2669 -5.2669 -4.9764 -4.9764 -3.9321 -3.9321 -3.9246 -3.9246 5.5661 5.5661 5.6279 5.6279 6.0548 6.0548 6.5451 6.5451 6.6168 6.6168 6.6424 6.6424 10.5341 10.5341 10.5483 10.5483 10.5854 10.5854 15.6272 15.6272 15.6578 15.6578 15.7953 15.7953 17.4583 17.4583 17.5282 17.5282 k = 0.5000 0.5000 0.4500 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6808 -24.6808 -22.2429 -22.2429 -22.2414 -22.2414 -22.0344 -22.0344 -5.3884 -5.3884 -5.2783 -5.2783 -5.2550 -5.2550 -4.9963 -4.9963 -3.9379 -3.9379 -3.9330 -3.9330 5.5663 5.5663 5.6075 5.6075 6.0375 6.0375 6.5484 6.5484 6.6155 6.6155 6.6343 6.6343 10.5496 10.5496 10.5643 10.5643 10.5871 10.5871 15.6495 15.6495 15.6708 15.6708 15.8090 15.8090 17.4499 17.4499 17.4950 17.4950 k = 0.5000 0.5000 0.4625 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6810 -24.6810 -22.2429 -22.2429 -22.2420 -22.2420 -22.0342 -22.0342 -5.3815 -5.3815 -5.2606 -5.2606 -5.2455 -5.2455 -5.0141 -5.0141 -3.9425 -3.9425 -3.9397 -3.9397 5.5665 5.5665 5.5904 5.5904 6.0252 6.0252 6.5491 6.5491 6.6163 6.6163 6.6280 6.6280 10.5613 10.5613 10.5769 10.5769 10.5889 10.5889 15.6675 15.6675 15.6802 15.6802 15.8210 15.8210 17.4433 17.4433 17.4685 17.4685 k = 0.5000 0.5000 0.4750 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6811 -24.6811 -22.2429 -22.2429 -22.2425 -22.2425 -22.0341 -22.0341 -5.3766 -5.3766 -5.2461 -5.2461 -5.2385 -5.2385 -5.0287 -5.0287 -3.9458 -3.9458 -3.9445 -3.9445 5.5666 5.5666 5.5775 5.5775 6.0171 6.0171 6.5486 6.5486 6.6180 6.6180 6.6235 6.6235 10.5691 10.5691 10.5858 10.5858 10.5908 10.5908 15.6807 15.6807 15.6866 15.6866 15.8303 15.8303 17.4385 17.4385 17.4493 17.4493 k = 0.5000 0.5000 0.4875 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6812 -24.6812 -22.2428 -22.2428 -22.2427 -22.2427 -22.0340 -22.0340 -5.3737 -5.3737 -5.2363 -5.2363 -5.2342 -5.2342 -5.0384 -5.0384 -3.9477 -3.9477 -3.9474 -3.9474 5.5667 5.5667 5.5694 5.5694 6.0124 6.0124 6.5479 6.5479 6.6193 6.6193 6.6207 6.6207 10.5733 10.5733 10.5912 10.5912 10.5924 10.5924 15.6887 15.6887 15.6902 15.6902 15.8362 15.8362 17.4352 17.4352 17.4376 17.4376 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -48.7485 -48.7485 -24.6813 -24.6813 -22.2428 -22.2428 -22.2428 -22.2428 -22.0340 -22.0340 -5.3727 -5.3727 -5.2328 -5.2328 -5.2328 -5.2328 -5.0419 -5.0419 -3.9484 -3.9484 -3.9484 -3.9484 5.5667 5.5667 5.5667 5.5667 6.0109 6.0109 6.5476 6.5476 6.6198 6.6198 6.6198 6.6198 10.5745 10.5745 10.5930 10.5930 10.5930 10.5930 15.6914 15.6914 15.6914 15.6914 15.8382 15.8382 17.4337 17.4337 17.4337 17.4337 Writing output data file SrMoO3.save init_run : 0.20s CPU 0.30s WALL ( 1 calls) electrons : 100.38s CPU 102.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 100.37s CPU 102.16s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 307 calls) cegterg : 93.81s CPU 95.20s WALL ( 373 calls) Called by sum_band: Called by *egterg: h_psi : 37.33s CPU 38.14s WALL ( 6676 calls) s_psi : 2.50s CPU 2.67s WALL ( 6676 calls) g_psi : 0.13s CPU 0.13s WALL ( 5996 calls) cdiaghg : 49.60s CPU 50.22s WALL ( 6303 calls) cegterg:over : 3.45s CPU 3.59s WALL ( 5996 calls) cegterg:upda : 2.37s CPU 2.53s WALL ( 5996 calls) cegterg:last : 1.60s CPU 1.46s WALL ( 987 calls) cdiaghg:chol : 2.62s CPU 2.67s WALL ( 6303 calls) cdiaghg:inve : 2.04s CPU 1.92s WALL ( 6303 calls) cdiaghg:para : 3.18s CPU 3.07s WALL ( 12606 calls) Called by h_psi: h_psi:vloc : 31.25s CPU 31.95s WALL ( 6676 calls) h_psi:vnl : 5.97s CPU 6.08s WALL ( 6676 calls) add_vuspsi : 3.22s CPU 3.09s WALL ( 6676 calls) General routines calbec : 2.74s CPU 2.96s WALL ( 6676 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 28.96s CPU 29.61s WALL ( 681948 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.13s WALL ( 614 calls) Parallel routines fft_scatter : 14.36s CPU 14.58s WALL ( 681971 calls) PWSCF : 1m52.20s CPU 2m 3.49s WALL This run was terminated on: 20:55:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=